Mrv1652306031606512D          

 27 26  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    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
    1.2375    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    2.5559    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.7309    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    3.2704    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.4454    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    3.9849    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    3.1599    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    4.6993    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    3.8743    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730    5.4138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020    4.5888    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855    6.1283    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    5.3033    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    7.1447    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    6.8427    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    6.0177    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 O   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  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  4  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18  7  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  1  0  0  0  0
 21  9  1  0  0  0  0
 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 10  1  0  0  0  0
 25 10  1  0  0  0  0
 26  3  2  0  0  0  0
 27  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM043362

> <DATABASE_NAME>
chemdb

> <SMILES>
OC(=O)CCC(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/C10H5F15O2/c11-4(12,2-1-3(26)27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H2,(H,26,27)

> <INCHI_KEY>
HLBRGVKRZQSQHB-UHFFFAOYSA-N

> <FORMULA>
C10H5F15O2

> <MOLECULAR_WEIGHT>
442.124

> <EXACT_MASS>
442.005001846

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
22.476156835247824

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid

> <ALOGPS_LOGP>
3.67

> <JCHEM_LOGP>
5.10543325

> <ALOGPS_LOGS>
-4.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.10753051328908647

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
51.07650000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.06e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid

> <JCHEM_VEBER_RULE>
1

> <NAME>
4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic Acid

> <CAS>
812-70-4

$$$$