Molecule

ID:132795

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂O₃
Molecular Mass
320.46628
Exact Mass
320.23514488
Charge
0
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1
InChIKey
NLUNAYAEIJYXRB-VYOQERLCSA-N
Canonic Smiles
CCCCC/C=C\C/C=C\C=C\[C@H](C/C=C\CCCC(=O)O)O
Isomeric Smiles
CCCCC/C=C\C/C=C\C=C\[C@H](C/C=C\CCCC(=O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
2.70
LogD (pH = 5.5)
4.47
Log P
5.36
Rotatable Bonds
14
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
false
Acid pKa
4.68
Polar Surface Area
57.53
Polarizability
38.26
Molar Refractivity
101.47
LOG S
-6.41
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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