Mrv1902 01291916492D          

 14 13  0  0  0  0            999 V2000
   -0.7139    0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7139   -0.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4284    0.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4284   -1.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1428    0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1428   -0.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7148    0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7148   -0.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004    0.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004   -1.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4340    0.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1428   -0.0144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4450    1.2324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4293   -1.2324    0.0000 C   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
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  8 14  1  0  0  0  0
M  END
> <DATABASE_ID>
DB03017

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCCCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)

> <INCHI_KEY>
POULHZVOKOAJMA-UHFFFAOYSA-N

> <FORMULA>
C12H24O2

> <MOLECULAR_WEIGHT>
200.3178

> <EXACT_MASS>
200.177630012

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
25.846297240499034

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
dodecanoic acid

> <ALOGPS_LOGP>
5.13

> <JCHEM_LOGP>
4.478308117666667

> <ALOGPS_LOGS>
-4.30

> <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>
58.67959999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.97e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lauric acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB03017

> <SECONDARY_ACCESSION_NUMBERS>
EXPT01112; EXPT02006

> <DRUG_GROUPS>
approved; experimental

> <GENERIC_NAME>
Lauric acid

> <SYNONYMS>
1-undecanecarboxylic acid; ABL; C12 fatty acid; C12:0; Coconut oil fatty acids; DAO; Dodecanoic acid; Dodecoic acid; Dodecylcarboxylate; Dodecylic acid; Duodecyclic acid; Duodecylic acid; Laurinsäure; Laurostearic acid; n-dodecanoic acid; Undecane-1-carboxylic acid; Vulvic acid

> <PRODUCTS>
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; Vitafol Plus

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