Molecule
ID:83669
General Information
Molecular Formula
C₂₂H₃₂O₂
Molecular Mass
328.48828
Exact Mass
328.24023026
Charge
0
InChI
InChI=1S/C22H32O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12-14,17-20H,4-11H2,1-3H3
InChIKey
XVPJEGGIGJLDQK-UHFFFAOYSA-N
Canonic Smiles
O=CC(C1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)C
Isomeric Smiles
O=C1CCC2(C3CCC4(C(C3CCC2=C1)CCC4C(C=O)C)C)C
Calculated Properties
JChem
Acid pKa
16.085098
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3919506
LogD (pH = 7.4)
4.3919506
Log P
4.3919506
Molar Refractivity
97.3784
Polarizability
38.242718
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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