Molecule

ID:129236

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇N₃O₄
Molecular Mass
233.18028
Exact Mass
233.04365572
Charge
0
InChI
InChI=1S/C10H7N3O4/c14-6-4-10(8(16)11-6)9(17)12-7(15)5-2-1-3-13(5)10/h1-3H,4H2,(H,11,14,16)(H,12,15,17)
InChIKey
NINHKRHIVCXCNS-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)C2(C1)C(=O)NC(=O)c1n2ccc1
Isomeric Smiles
C1C(=O)NC(=O)C21C(=O)NC(=O)c1cccn21
Calculated Properties
JChem
Acid pKa
8.648845
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.0730044
LogD (pH = 7.4)
-1.096524
Log P
-1.0723318
Molar Refractivity
53.1494
Polarizability
20.206427
Polar Surface Area
97.27
Rotatable Bonds
0
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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