Molecule

ID:76527

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₃
Molecular Mass
204.18212
Exact Mass
204.05349213
Charge
0
InChI
InChI=1S/C10H8N2O3/c13-7-3-1-2-6(4-7)8-5-9(10(14)15)12-11-8/h1-5,13H,(H,11,12)(H,14,15)
InChIKey
KOWRVFWZCLHEIU-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)c1[nH]nc(c1)C(=O)O
Isomeric Smiles
[nH]1c(cc(n1)C(=O)O)c1cccc(c1)O
Calculated Properties
JChem
Acid pKa
3.1669636
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.72493196
LogD (pH = 7.4)
-1.8688899
Log P
1.5845242
Molar Refractivity
53.6242
Polarizability
21.026543
Polar Surface Area
86.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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