Molecule

ID:92460

General Information
Structure
MolImage
Molecular Formula
C₉H₆O₃
Molecular Mass
162.14214
Exact Mass
162.03169405
Charge
0
InChI
InChI=1S/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10H
InChIKey
CJIJXIFQYOPWTF-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)ccc(=O)o2
Isomeric Smiles
o1c2ccc(cc2ccc1=O)O
Calculated Properties
JChem
Acid pKa
9.406343
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4797407
LogD (pH = 7.4)
1.4755604
Log P
1.4797943
Molar Refractivity
43.5295
Polarizability
16.31474
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
References
Bioactivity
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