MYR
  Mrv0541 02241213572D          

 16 15  0  0  0  0            999 V2000
   -4.6643   -0.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3787    0.2336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6643   -1.0039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9498    0.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2353   -0.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5209    0.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8064   -0.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0919    0.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3774   -0.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3370    0.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0515   -0.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7660    0.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4804   -0.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1949    0.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9094   -0.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6239    0.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  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
M  END
> <DATABASE_ID>
DB08231

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCCCCCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)

> <INCHI_KEY>
InChIKey=TUNFSRHWOTWDNC-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
30.102094641406786

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_EXACT_MASS>
228.20893014

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C14H28O2

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
tetradecanoic acid

> <ALOGPS_LOGP>
6.10

> <JCHEM_LOGP>
5.367445447666666

> <ALOGPS_LOGS>
-5.12

> <JCHEM_MASS>
228.3709

> <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>
67.88159999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.72e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
myristic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB08231

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
MYRISTIC ACID

$$$$