Mrv1652305062021452D          

 19 18  0  0  0  0            999 V2000
   11.6529   -2.8381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659   -2.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804   -2.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -2.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949   -2.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -2.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094   -2.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -2.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -2.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239   -2.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383   -2.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  3  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 18  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009434

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCC\C=C/CCCCCCCC#N

> <INCHI_IDENTIFIER>
InChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-17H2,1H3/b10-9-

> <INCHI_KEY>
UIAMCVSNZQYIQS-KTKRTIGZSA-N

> <FORMULA>
C18H33N

> <MOLECULAR_WEIGHT>
263.469

> <EXACT_MASS>
263.261300067

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
35.93338678961304

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(9Z)-octadec-9-enenitrile

> <ALOGPS_LOGP>
7.11

> <JCHEM_LOGP>
6.841747317666667

> <ALOGPS_LOGS>
-4.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
23.79

> <JCHEM_REFRACTIVITY>
86.38149999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.86e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9-octadecenenitrile, (Z)-

> <JCHEM_VEBER_RULE>
0

> <NAME>
(Z)-9-Octadecenenitrile

> <CAS>
112-91-4

> <SYNONYMS>
oleonitrile

$$$$