Molecule

ID:132921

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀O₂
Molecular Mass
232.3181
Exact Mass
232.14632988
Charge
0
InChI
InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1
InChIKey
PJAAESPGJOSQGZ-DZGBDDFRSA-N
Canonic Smiles
O=CC1=C[C@@H]2CC(C[C@@H]2[C@@]2([C@@]1(C=O)C2)C)(C)C
Isomeric Smiles
C[C@]12C[C@]1(C(=C[C@H]1[C@@H]2CC(C1)(C)C)C=O)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0227892
LogD (pH = 7.4)
2.0227892
Log P
2.0227892
Molar Refractivity
67.1521
Polarizability
26.072412
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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