Molecule
ID:78687
General Information
Molecular Formula
C₂₃H₂₈O₂
Molecular Mass
336.46722
Exact Mass
336.20893014
Charge
0
InChI
InChI=1S/C23H28O2/c1-6-16-14-19-20(23(4,5)12-11-22(19,2)3)15-18(16)21(24)10-9-17-8-7-13-25-17/h7-10,13-15H,6,11-12H2,1-5H3
InChIKey
OKDHXUOQHVDJJL-UHFFFAOYSA-N
Canonic Smiles
CCc1cc2c(cc1C(=O)/C=C/c1ccco1)C(C)(C)CCC2(C)C
Isomeric Smiles
o1c(ccc1)/C=C/C(=O)c1c(cc2c(c1)C(CCC2(C)C)(C)C)CC
Calculated Properties
JChem
Acid pKa
15.196087
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.534949
LogD (pH = 7.4)
6.534949
Log P
6.534949
Molar Refractivity
104.4397
Polarizability
39.672997
Polar Surface Area
30.21
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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