Molecule

ID:133461

General Information
Structure
MolImage
Molecular Formula
C₉H₅NO₃
Molecular Mass
175.1409
Exact Mass
175.02694303
Charge
0
InChI
InChI=1S/C9H5NO3/c11-9-4-1-6-5-7(10-12)2-3-8(6)13-9/h1-5H
InChIKey
HXTDAUGEZTYMGP-UHFFFAOYSA-N
Canonic Smiles
O=Nc1ccc2c(c1)ccc(=O)o2
Isomeric Smiles
c1cc(=O)oc2c1cc(cc2)N=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.861056
LogD (pH = 7.4)
1.8610675
Log P
1.8610677
Molar Refractivity
47.122
Polarizability
16.746016
Polar Surface Area
55.73
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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