Molecule

ID:83463

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₂
Molecular Mass
190.23836
Exact Mass
190.09937969
Charge
0
InChI
InChI=1S/C12H14O2/c1-12(8-7-11(13)14-12)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey
KTESBYCRBWWQTH-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(O1)(C)Cc1ccccc1
Isomeric Smiles
O1C(Cc2ccccc2)(CCC1=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5030293
LogD (pH = 7.4)
2.5030293
Log P
2.5030293
Molar Refractivity
53.9841
Polarizability
21.411076
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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