Mrv0541 02241203542D          

 18 17  0  0  0  0            999 V2000
    4.4582  -16.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1727  -17.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8871  -16.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6016  -17.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3161  -16.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0305  -17.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7451  -16.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4595  -17.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1740  -16.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8885  -17.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6030  -16.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3174  -17.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0319  -16.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7464  -17.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4609  -16.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1754  -17.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8898  -16.6287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1754  -17.8662    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  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
 18 16  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB011671

> <DATABASE_NAME>
foodb

> <SMILES>
CCCCCCCCCCCCCCCC(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)

> <INCHI_KEY>
HSEMFIZWXHQJAE-UHFFFAOYSA-N

> <FORMULA>
C16H33NO

> <MOLECULAR_WEIGHT>
255.4393

> <EXACT_MASS>
255.256214683

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
34.74664164092993

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
hexadecanamide

> <ALOGPS_LOGP>
6.59

> <JCHEM_LOGP>
5.449640164

> <ALOGPS_LOGS>
-6.06

> <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>
78.90579999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.22e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cetamide

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB011671

> <GENERIC_NAME>
Hexadecanamide

$$$$