Mrv1572004191603212D          

 18 16  0  0  0  0            999 V2000
   -5.7158    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.1941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9551    0.0000    0.0000 F   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  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 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
M  CHG  1  18  -1
M  END
> <DATABASE_ID>
CHEM011771

> <DATABASE_NAME>
chemdb

> <SMILES>
[F-].CCCCCCCCCCCCCCCCN

> <INCHI_IDENTIFIER>
InChI=1S/C16H35N.FH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;/h2-17H2,1H3;1H/p-1

> <INCHI_KEY>
KMXTYZBQPJXGNK-UHFFFAOYSA-M

> <FORMULA>
C16H35FN

> <MOLECULAR_WEIGHT>
260.462

> <EXACT_MASS>
260.275901874

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
53

> <JCHEM_AVERAGE_POLARIZABILITY>
34.84966951311239

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexadecan-1-amine fluoride

> <ALOGPS_LOGP>
7.33

> <JCHEM_LOGP>
6.0332641293333324

> <ALOGPS_LOGS>
-6.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.205497374561691

> <JCHEM_POLAR_SURFACE_AREA>
26.02

> <JCHEM_REFRACTIVITY>
79.00439999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.32e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-hexadecylamine fluoride

> <JCHEM_VEBER_RULE>
0

> <NAME>
1-Hexadecanamine, hydrofluoride

> <CAS>
3151-59-5

$$$$