Mrv0541 02231219222D          

 20 19  0  0  0  0            999 V2000
    6.5776  -11.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4026  -11.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8151  -12.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6401  -12.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0526  -13.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8776  -13.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2901  -14.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1151  -14.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5276  -14.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3526  -14.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7651  -14.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5901  -14.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0026  -13.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8276  -13.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2401  -12.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0651  -12.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4776  -11.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3026  -11.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7151  -12.6175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7151  -11.1886    0.0000 O   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
 20 18  2  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0002117

> <DATABASE_NAME>
bmdb

> <SMILES>
CCCCCCCC\C=C/CCCCCCCC(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-

> <INCHI_KEY>
FATBGEAMYMYZAF-KTKRTIGZSA-N

> <FORMULA>
C18H35NO

> <MOLECULAR_WEIGHT>
281.4766

> <EXACT_MASS>
281.271864747

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
37.43753172718946

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
7.19

> <JCHEM_LOGP>
5.976855837333334

> <ALOGPS_LOGS>
-6.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.920466133717532

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5790839094389891

> <JCHEM_POLAR_SURFACE_AREA>
43.09

> <JCHEM_REFRACTIVITY>
89.22439999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.31e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
oleamide

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0002117

> <GENERIC_NAME>
Oleamide

> <SYNONYMS>
(9Z)-9-Octadecenamide; (9Z)-octadec-9-enamide; (cis)-9-Octadecenoic acid amide ; (Z)-9-Octadecenamide; (Z)-9-Octadecenamide ; 14C-labeled oleamide; 9,10-octadecenamide; 9-Octadecenamide; 9-octadecenamide (ACD/Name 4.0); Adogen 73; Aliphatic amide; Amide o; Armid o; Armoslip CP; cis-9,10-Octadecenoamide; Crodamide o; Crodamide or; Diamide O 200; Diamit O 200; Elaidoylamide; ELD; Kemamide o; nchembio.129-comp11; Octadecene amide; Oleic acid amide; Oleyl amide; Oleylamide; Petrac slip-eze; Polydis TR 121; Slip-eze; Tocris-0878; trans-9,10-octadecenoamide; Unislip 1759

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