Molecule

ID:10859

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₃
Molecular Mass
204.18212
Exact Mass
204.05349213
Charge
0
InChI
InChI=1S/C10H8N2O3/c13-9-6-8(10(14)15)11-12(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)
InChIKey
IMZSHPUSPMOODC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1=NN(C(=O)C1)c1ccccc1
Isomeric Smiles
N1=C(CC(=O)N1c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
2.686684
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.2513239
LogD (pH = 7.4)
-2.0156336
Log P
1.4862947
Molar Refractivity
51.2874
Polarizability
19.460966
Polar Surface Area
69.97
Rotatable Bonds
2
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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