Molecule

ID:131020

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₄O
Molecular Mass
290.48336
Exact Mass
290.26096571
Charge
0
InChI
InChI=1S/C20H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h6-7,9-10,12-13,15-16,21H,2-5,8,11,14,17-20H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKey
NYBCZSBDKXGAGM-DOFZRALJSA-N
Canonic Smiles
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCO
Isomeric Smiles
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCO
Calculated Properties
JChem
LogD (pH = 7.4)
6.47
LogD (pH = 5.5)
6.47
Log P
6.47
Rotatable Bonds
14
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-1.96
Polar Surface Area
20.23
Polarizability
37.37
Molar Refractivity
100.22
LOG S
-7.98
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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