1DO
  Mrv0541 02241213032D          

 13 12  0  0  0  0            999 V2000
   -4.2713    0.1788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5570   -0.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8425    0.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1281   -0.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4136    0.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6993   -0.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0152    0.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7297   -0.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4440    0.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1585   -0.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8729    0.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5874   -0.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3017    0.1788    0.0000 C   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
  3  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
M  END
> <DATABASE_ID>
DB06894

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCCCCCCCCCO

> <INCHI_IDENTIFIER>
InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3

> <INCHI_KEY>
InChIKey=LQZZUXJYWNFBMV-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
25.85968999579336

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_EXACT_MASS>
186.198365454

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C12H26O

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
dodecan-1-ol

> <ALOGPS_LOGP>
5.36

> <JCHEM_LOGP>
4.3618712660000005

> <ALOGPS_LOGS>
-4.86

> <JCHEM_MASS>
186.3342

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.84394282199214

> <JCHEM_PKA_STRONGEST_BASIC>
-1.9922594096606376

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
58.942899999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.60e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dodecanol

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB06894

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
1-DODECANOL

$$$$