Molecule

ID:103346

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂O₃
Molecular Mass
320.46628
Exact Mass
320.23514488
Charge
0
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)
InChIKey
ZNHVWPKMFKADKW-UHFFFAOYSA-N
Canonic Smiles
CCCCC/C=C/CC(/C=C/C=C/C/C=C/CCCC(=O)O)O
Isomeric Smiles
CCCCC/C=C/CC(O)/C=C/C=C/C/C=C/CCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.889631
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.6512523
LogD (pH = 7.4)
2.8843422
Log P
5.35636
Molar Refractivity
101.4695
Polarizability
37.740055
Polar Surface Area
57.53
Rotatable Bonds
14
Lipinski's Rule of Five
false
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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