Molecule
ID:124642
General Information
Molecular Formula
C₁₀H₈N₂O₃
Molecular Mass
204.18212
Exact Mass
204.05349213
Charge
0
InChI
InChI=1S/C10H8N2O3/c13-9-8(10(14)15)6-11-12(9)7-4-2-1-3-5-7/h1-6,8H,(H,14,15)
InChIKey
DWTODFKYFNAIHO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1C=NN(C1=O)c1ccccc1
Isomeric Smiles
N1(C(=O)C(C=N1)C(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.5937326
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.1282665
LogD (pH = 7.4)
-2.5720773
Log P
0.77313775
Molar Refractivity
51.3077
Polarizability
19.461037
Polar Surface Area
69.97
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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