Molecule

ID:124635

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇N₃O₄
Molecular Mass
233.18028
Exact Mass
233.04365572
Charge
0
InChI
InChI=1S/C10H7N3O4/c11-9-6-3-5(13(16)17)1-2-8(6)12-4-7(9)10(14)15/h1-4H,(H2,11,12)(H,14,15)
InChIKey
MGJCQIPPSDGTAD-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc2c(c1)c(N)c(cn2)C(=O)O
Isomeric Smiles
c1(c(c2cc([N+](=O)[O-])ccc2nc1)N)C(=O)O
Calculated Properties
JChem
Acid pKa
2.9144573
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-0.0133535955
LogD (pH = 7.4)
-0.20617247
Log P
-0.009654755
Molar Refractivity
59.2606
Polarizability
22.325449
Polar Surface Area
122.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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