Molecule

ID:122615

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂O₃
Molecular Mass
216.19282
Exact Mass
216.05349213
Charge
0
InChI
InChI=1S/C11H8N2O3/c14-10(15)9-6-8(12-11(16)13-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)(H,12,13,16)
InChIKey
PDNUZJHKUILWDY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc([nH]c(=O)n1)c1ccccc1
Isomeric Smiles
n1c(=O)[nH]c(cc1C(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
2.9781876
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.6152768
LogD (pH = 7.4)
-2.612381
Log P
0.86716735
Molar Refractivity
57.0333
Polarizability
21.124313
Polar Surface Area
78.76
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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