Molecule

ID:79508

General Information
Structure
MolImage
Molecular Formula
C₉H₆O₃
Molecular Mass
162.14214
Exact Mass
162.03169405
Charge
0
InChI
InChI=1S/C9H6O3/c10-6-2-1-3-8-9(6)7(11)4-5-12-8/h1-5,10H
InChIKey
CJMXMDVAKVSKFI-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc2c1c(=O)cco2
Isomeric Smiles
o1ccc(=O)c2c(cccc12)O
Calculated Properties
JChem
Acid pKa
8.672201
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0156255
LogD (pH = 7.4)
1.9934838
Log P
2.0159152
Molar Refractivity
43.269
Polarizability
16.231321
Polar Surface Area
46.53
Rotatable Bonds
0
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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