Molecule

ID:45

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₀O₂
Molecular Mass
302.451
Exact Mass
302.2245802
Charge
0
InChI
InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKey
JAZBEHYOTPTENJ-JLNKQSITSA-N
Canonic Smiles
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
Isomeric Smiles
OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Calculated Properties
JChem
LogD (pH = 7.4)
3.69
LogD (pH = 5.5)
5.46
Log P
6.23
Rotatable Bonds
13
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.82
Polar Surface Area
37.30
Polarizability
35.87
Molar Refractivity
101.07
LOG S
-7.92
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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