Molecule

ID:59820

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈O₃
Molecular Mass
212.20082
Exact Mass
212.04734412
Charge
0
InChI
InChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H
InChIKey
WXUQMTRHPNOXBV-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)oc(=O)c1c2cccc1
Isomeric Smiles
c1(=O)oc2c(c3c1cccc3)ccc(c2)O
Calculated Properties
JChem
Acid pKa
7.6736383
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6188788
LogD (pH = 7.4)
2.4378285
Log P
2.621762
Molar Refractivity
58.92
Polarizability
23.716028
Polar Surface Area
46.53
Rotatable Bonds
0
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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