Molecule

ID:58374

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₂
Molecular Mass
190.23836
Exact Mass
190.09937969
Charge
0
InChI
InChI=1S/C12H14O2/c1-7-8(2)12(6-14)10(4)9(3)11(7)5-13/h5-6H,1-4H3
InChIKey
PWVFZPCOVWTNCN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)c(C)c(c(c1C)C)C=O
Isomeric Smiles
c1(c(c(c(c(c1C)C=O)C)C)C=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.451936
LogD (pH = 7.4)
3.451936
Log P
3.451936
Molar Refractivity
59.3908
Polarizability
21.172895
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
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References
Bioactivity
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