Mrv0541 02241217482D          

 20 19  0  0  0  0            999 V2000
    2.5159    2.1034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7734    1.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7734    0.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1133    0.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1133   -0.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7734   -0.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7734   -1.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1133   -2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3709   -1.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3709   -2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1133   -1.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7734   -2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5159   -1.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5159   -0.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7734   -0.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7734    0.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1133    0.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3709    0.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3709   -0.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1133    2.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009702

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCCCCCCCC(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)

> <INCHI_KEY>
LYRFLYHAGKPMFH-UHFFFAOYSA-N

> <FORMULA>
C18H37NO

> <MOLECULAR_WEIGHT>
283.4925

> <EXACT_MASS>
283.287514811

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
39.02684410334351

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
octadecanamide

> <ALOGPS_LOGP>
7.87

> <JCHEM_LOGP>
6.338777494000001

> <ALOGPS_LOGS>
-6.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.88392054176838

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5790839092476204

> <JCHEM_POLAR_SURFACE_AREA>
43.09

> <JCHEM_REFRACTIVITY>
88.10779999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.50e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
stearamide

> <JCHEM_VEBER_RULE>
0

> <NAME>
Octadecanamide

> <CAS>
124-26-5

> <SYNONYMS>
stearamide

$$$$