Molecule

ID:79378

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₂
Molecular Mass
190.23836
Exact Mass
190.09937969
Charge
0
InChI
InChI=1S/C12H14O2/c1-8-6-7-12(14-9(2)13)11-5-3-4-10(8)11/h6-7H,3-5H2,1-2H3
InChIKey
MABWFAYFFNHAOF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccc(c2c1CCC2)C
Isomeric Smiles
O(c1c2c(c(cc1)C)CCC2)C(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1016138
LogD (pH = 7.4)
3.1016138
Log P
3.1016138
Molar Refractivity
55.1128
Polarizability
21.156542
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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