Molecule

ID:60341

General Information
Structure
MolImage
Molecular Formula
C₉H₆O₃
Molecular Mass
162.14214
Exact Mass
162.03169405
Charge
0
InChI
InChI=1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
InChIKey
OFFSPAZVIVZPHU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc2c(o1)cccc2
Isomeric Smiles
c1cccc2c1cc(o2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1003244
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.66038847
LogD (pH = 7.4)
-1.7514473
Log P
1.7099532
Molar Refractivity
42.0328
Polarizability
17.039173
Polar Surface Area
50.44
Rotatable Bonds
1
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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