Molecule

ID:11167

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₃
Molecular Mass
202.206
Exact Mass
202.06299418
Charge
0
InChI
InChI=1S/C12H10O3/c1-15-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11/h2-7H,1H3,(H,13,14)
InChIKey
WRQHSQDGYYDRMX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c2c1cccc2)C(=O)O
Isomeric Smiles
c1(c2c(c(cc1)OC)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9346187
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8902884
LogD (pH = 7.4)
-0.73272794
Log P
2.4626343
Molar Refractivity
56.2276
Polarizability
22.68187
Polar Surface Area
46.53
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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