Mrv1718012131811572D          

 18 17  0  0  0  0            999 V2000
   -1.4290    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
> <DATABASE_ID>
DB03796

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCCCCCCCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)

> <INCHI_KEY>
IPCSVZSSVZVIGE-UHFFFAOYSA-N

> <FORMULA>
C16H32O2

> <MOLECULAR_WEIGHT>
256.4241

> <EXACT_MASS>
256.240230268

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
34.35684664668638

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexadecanoic acid

> <ALOGPS_LOGP>
7.23

> <JCHEM_LOGP>
6.256582777666667

> <ALOGPS_LOGS>
-5.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.952019655228562

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
77.08359999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.07e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
palmitic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB03796

> <SECONDARY_ACCESSION_NUMBERS>
EXPT01393; EXPT02607

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Palmitic Acid

> <SYNONYMS>
1-hexyldecanoic acid; 1-Pentadecanecarboxylic acid; Hexadecanoate; Hexadecanoic acid; Hexadecoic acid; Hexadecylic acid; Hexaectylic acid; Palmitate; Palmitic Acid; Palmitinic acid; Palmitinsäure

> <PRODUCTS>
Borage Oil Capsules; Flaxseed Oil Capsules; Huile D'onagre Vitamin E; Jayjun Anti Dust Fresh Foam Cleanser; Jayjun New Real Water Brightening Black Mask Step 01 Real Water Shining Vita Cleansing Foa M; Jayjun Real Water Brightening Black Mask Step 01 Real Water Cleansing Foa M; Jayjun Real Water Shining Cleansing Foa M; Jayjun Real Water Shining Vita Cleansing Foa M; Levovist - Pws IV (4g Granules /vial); Liquid; Sha-lem; Surfaxin

> <SALTS>
16-chloropalmitic acid

$$$$