Mrv1652301131800042D          

 19 18  0  0  0  0            999 V2000
 2502.6687 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2501.8433 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2501.1283 2502.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.4134 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.6986 2502.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.9837 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.2687 2502.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2497.5539 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.8390 2502.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.1243 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2503.3855 2502.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2504.1004 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2504.8154 2502.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2505.5302 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2506.2450 2502.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2506.9600 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2507.6748 2502.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2508.3898 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2509.1045 2502.8202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 11  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
 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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0177345

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCC\C=C/CCCCCCCCO

> <INCHI_IDENTIFIER>
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9-

> <INCHI_KEY>
ALSTYHKOOCGGFT-KTKRTIGZSA-N

> <FORMULA>
C18H36O

> <MOLECULAR_WEIGHT>
268.4778

> <EXACT_MASS>
268.276615774

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
37.09484146315165

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(9Z)-octadec-9-en-1-ol

> <ALOGPS_LOGP>
7.91

> <JCHEM_LOGP>
6.667361599333333

> <ALOGPS_LOGS>
-6.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.843942821991913

> <JCHEM_PKA_STRONGEST_BASIC>
-1.9922594096607371

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
87.6655

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.71e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
conditioner 1

> <JCHEM_VEBER_RULE>
0

> <NP-MRD_ID>
NP0177345

> <GENERIC_NAME>
conditioner 1

$$$$