Molecule

ID:40434

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇N₃O₄
Molecular Mass
233.18028
Exact Mass
233.04365572
Charge
0
InChI
InChI=1S/C10H7N3O4/c14-10(15)7-1-2-8(9(5-7)13(16)17)12-4-3-11-6-12/h1-6H,(H,14,15)
InChIKey
FLYKERXELOIGQB-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1n1cncc1)C(=O)O
Isomeric Smiles
c1(c(n2cncc2)ccc(c1)C(=O)O)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
4.300832
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.4764242
LogD (pH = 7.4)
-1.4700654
Log P
-0.39650837
Molar Refractivity
68.5873
Polarizability
21.707159
Polar Surface Area
100.94
Rotatable Bonds
3
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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