Molecule

ID:405

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₈O₂
Molecular Mass
300.43512
Exact Mass
300.20893014
Charge
0
InChI
InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
InChIKey
SHGAZHPCJJPHSC-ZVCIMWCZSA-N
Canonic Smiles
C/C(=C/C=C/C(=C/C(=O)O)/C)/C=C/C1=C(C)CCCC1(C)C
Isomeric Smiles
OC(=O)/C=C(/C=C/C=C(\C=C\C1=C(CCCC1(C)C)C)/C)\C
Calculated Properties
JChem
LogD (pH = 7.4)
2.42
LogD (pH = 5.5)
4.20
Log P
5.01
Rotatable Bonds
5
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.76
Polar Surface Area
37.30
Polarizability
36.66
Molar Refractivity
97.79
LOG S
-7.14
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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