Mrv1572004191603252D          

 22 20  0  0  0  0            999 V2000
   -6.3962    0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6817   -0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9673    0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2528   -0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5383    0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8239   -0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1094    0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3949   -0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6804    0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0340   -0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7485    0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4630   -0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1774    0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8919   -0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6064    0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3208   -0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0353    0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7498   -0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4643    0.1964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6804    1.0214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0340   -1.0411    0.0000 H   0  0  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  2  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
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 21  9  1  0  0  0  0
 22 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012036

> <DATABASE_NAME>
chemdb

> <SMILES>
F.[H]\C(CCCCCCCC)=C(\[H])CCCCCCCCN

> <INCHI_IDENTIFIER>
InChI=1S/C18H37N.FH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h9-10H,2-8,11-19H2,1H3;1H/b10-9+;

> <INCHI_KEY>
QGSCPWWHMSCFOV-RRABGKBLSA-N

> <FORMULA>
C18H38FN

> <MOLECULAR_WEIGHT>
287.507

> <EXACT_MASS>
287.298828391

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
38.127387928797596

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(9E)-octadec-9-en-1-amine hydrofluoride

> <ALOGPS_LOGP>
7.51

> <JCHEM_LOGP>
6.560479802666666

> <ALOGPS_LOGS>
-6.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.205497374561496

> <JCHEM_POLAR_SURFACE_AREA>
26.02

> <JCHEM_REFRACTIVITY>
89.323

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.99e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cis-9-octadecenylamine hydrofluoride

> <JCHEM_VEBER_RULE>
0

> <NAME>
9-Octadecen-1-amine, hydrofluoride

> <CAS>
36505-83-6

> <SYNONYMS>
dectaflur

$$$$