FOH
  Mrv0541 02231216152D          

 16 15  0  0  0  0            999 V2000
   -1.9455   -0.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1206   -0.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7081   -0.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7081   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1169   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5293   -0.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3543   -0.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7668   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7668   -0.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3543    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5293    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1169    1.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5293    2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7081    1.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1206    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9455    0.7019    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  4  2  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
  7  9  2  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
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
DB02509

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(C)=CCC\C(C)=C/CC\C(C)=C/CO

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9-,15-11-

> <INCHI_KEY>
CRDAMVZIKSXKFV-FBXUGWQNSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.3663

> <EXACT_MASS>
222.198365454

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.3896104446431846e-10

> <JCHEM_AVERAGE_POLARIZABILITY>
28.636807934215472

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

> <ALOGPS_LOGP>
4.84

> <JCHEM_LOGP>
4.1620975709999986

> <ALOGPS_LOGS>
-3.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.33002421872553

> <JCHEM_PKA_STRONGEST_BASIC>
-2.2170474067294528

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
74.98469999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.87e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB02509

> <SECONDARY_ACCESSION_NUMBERS>
EXPT01466

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Farnesol

> <PRODUCTS>
Above foot Protect Neymar Jr Unissex; Deo Pedico Above Neymar Jr Men

$$$$