Molecule

ID:2423

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₈O₂
Molecular Mass
300.43512
Exact Mass
300.20893014
Charge
0
InChI
InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,21H,11,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-12+
InChIKey
PLIUCYCUYQIBDZ-RMWYGNQTSA-N
Canonic Smiles
OC/C=C(/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C)\C
Isomeric Smiles
C/C(=C\CO)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
4.03
LogD (pH = 5.5)
4.03
Log P
4.03
Rotatable Bonds
5
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
16.44
Polar Surface Area
37.30
Polarizability
36.76
Molar Refractivity
98.62
LOG S
-5.61
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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