Molecule

ID:133895

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂O₃
Molecular Mass
320.46628
Exact Mass
320.23514488
Charge
0
InChI
InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-
InChIKey
JBSCUHKPLGKXKH-ILYOTBPNSA-N
Canonic Smiles
CCCCCC1OC1C/C=C\C/C=C\C/C=C\CCCC(=O)O
Isomeric Smiles
CCCCCC1C(O1)C/C=C\C/C=C\C/C=C\CCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
3.11
LogD (pH = 5.5)
4.89
Log P
5.65
Rotatable Bonds
14
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
false
Acid pKa
4.82
Polar Surface Area
49.83
Polarizability
38.59
Molar Refractivity
98.36
LOG S
-6.27
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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