Mrv1652306031607532D          

 44 43  0  0  0  0            999 V2000
    0.8250   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250  -10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -5.7750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -4.9500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -6.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -4.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -7.4250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -8.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -8.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -9.0750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -9.0750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -9.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -9.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250  -11.5500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500  -10.7250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000  -10.7250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  1  1  0  0  0  0
 16  1  1  0  0  0  0
 17  2  1  0  0  0  0
 18  2  1  0  0  0  0
 19  3  1  0  0  0  0
 20  3  1  0  0  0  0
 21  4  1  0  0  0  0
 22  4  1  0  0  0  0
 23  5  1  0  0  0  0
 24  5  1  0  0  0  0
 25  6  1  0  0  0  0
 26  6  1  0  0  0  0
 27  7  1  0  0  0  0
 28  7  1  0  0  0  0
 29  8  1  0  0  0  0
 30  8  1  0  0  0  0
 31  9  1  0  0  0  0
 32  9  1  0  0  0  0
 33 10  1  0  0  0  0
 34 10  1  0  0  0  0
 35 11  1  0  0  0  0
 36 11  1  0  0  0  0
 37 12  1  0  0  0  0
 38 12  1  0  0  0  0
 39 13  1  0  0  0  0
 40 13  1  0  0  0  0
 41 13  1  0  0  0  0
 42 14  1  0  0  0  0
 43 14  1  0  0  0  0
 44 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044226

> <DATABASE_NAME>
chemdb

> <SMILES>
OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

> <INCHI_IDENTIFIER>
InChI=1S/C14HF29O/c15-1(16,3(19,20)5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)41)2(17,18)4(21,22)6(25,26)8(29,30)10(33,34)12(37,38)14(42,43)44/h44H

> <INCHI_KEY>
TXMPTAHATHTQKU-UHFFFAOYSA-N

> <FORMULA>
C14HF29O

> <MOLECULAR_WEIGHT>
736.115

> <EXACT_MASS>
735.956431379

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
31.359248975321215

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
nonacosafluorotetradecan-1-ol

> <ALOGPS_LOGP>
5.92

> <JCHEM_LOGP>
9.692370437666666

> <ALOGPS_LOGS>
-4.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.464167194164717

> <JCHEM_PKA_STRONGEST_BASIC>
-7.407173269272353

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
70.29250000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.31e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
nonacosafluorotetradecan-1-ol

> <JCHEM_VEBER_RULE>
0

> <NAME>
12:2 FTOH

$$$$