Mrv1652309272007422D          

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10003.674510003.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
CHEM010758

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCC=C

> <INCHI_IDENTIFIER>
InChI=1S/C26H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-26H2,2H3

> <INCHI_KEY>
OMXANELYEWRDAW-UHFFFAOYSA-N

> <FORMULA>
C26H52

> <MOLECULAR_WEIGHT>
364.6911

> <EXACT_MASS>
364.406901664

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
53.82165055049785

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexacos-1-ene

> <ALOGPS_LOGP>
10.66

> <JCHEM_LOGP>
11.718523206333336

> <ALOGPS_LOGS>
-7.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
121.47229999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
23

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.54e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hexacos-1-ene

> <JCHEM_VEBER_RULE>
0

> <NAME>
1-Hexacosene

> <CAS>
18835-33-1

> <SYNONYMS>
hexacos-1-ene

$$$$