Molecule

ID:130951

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₂O
Molecular Mass
240.42468
Exact Mass
240.24531564
Charge
0
InChI
InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,17H,2-6,9-16H2,1H3/b8-7-
InChIKey
LBIYNOAMNIKVKF-FPLPWBNLSA-N
Canonic Smiles
CCCCCC/C=C\CCCCCCCCO
Isomeric Smiles
CCCCCC/C=C\CCCCCCCCO
Calculated Properties
JChem
LogD (pH = 7.4)
5.78
LogD (pH = 5.5)
5.78
Log P
5.78
Rotatable Bonds
13
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-1.99
Polar Surface Area
20.23
Polarizability
32.91
Molar Refractivity
78.46
LOG S
-6.33
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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