Molecule

ID:82697

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₂
Molecular Mass
190.23836
Exact Mass
190.09937969
Charge
0
InChI
InChI=1S/C12H14O2/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12/h3-4,7-8H,5-6H2,1-2H3
InChIKey
IDUKOSGEQABOGY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)CCC(O2)(C)C
Isomeric Smiles
O1c2c(cc(cc2)C=O)CCC1(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7096858
LogD (pH = 7.4)
2.7096858
Log P
2.7096858
Molar Refractivity
56.0728
Polarizability
21.296785
Polar Surface Area
26.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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