Mrv0541 02241212252D          

 30 29  0  0  0  0            999 V2000
   -1.6795    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3939    1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3939    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6795    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9650    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9650    1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1084    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8229    1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5373    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2518    1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9663    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6808    1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3952    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1097    1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8242    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1084    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8229    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5373    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2518    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9663    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6808    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3952    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1097    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8242    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5386    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2531    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9676    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6821    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3965    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2505    0.4714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  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
  2  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
  3 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
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
  5 30  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM024110

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCCCCCCC(O)CCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C29H60O/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-29(30)27-25-23-21-19-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3

> <INCHI_KEY>
WBSLSSVZLBCUIY-UHFFFAOYSA-N

> <FORMULA>
C29H60O

> <MOLECULAR_WEIGHT>
424.7861

> <EXACT_MASS>
424.464416542

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
62.055269802316936

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
nonacosan-13-ol

> <ALOGPS_LOGP>
10.35

> <JCHEM_LOGP>
11.969498660666666

> <ALOGPS_LOGS>
-7.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.484172992642346

> <JCHEM_PKA_STRONGEST_BASIC>
-1.2748227330182367

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
136.90070000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
26

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.15e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
nonacosan-13-ol

> <JCHEM_VEBER_RULE>
0

> <NAME>
Nonacosan-14-ol

> <CAS>
34394-12-2

$$$$