Molecule

ID:77077

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₄O₃
Molecular Mass
232.19552
Exact Mass
232.05964014
Charge
0
InChI
InChI=1S/C10H8N4O3/c11-10-12-4-3-8(13-10)7-5-6(14(16)17)1-2-9(7)15/h1-5,15H,(H2,11,12,13)
InChIKey
HLXSALGLCZLPOI-UHFFFAOYSA-N
Canonic Smiles
Nc1nccc(n1)c1cc(ccc1O)[N+](=O)[O-]
Isomeric Smiles
n1c(nccc1c1cc(ccc1O)[N+](=O)[O-])N
Calculated Properties
JChem
Acid pKa
6.2562814
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
1.4941877
LogD (pH = 7.4)
0.44180894
Log P
1.5690901
Molar Refractivity
61.4385
Polarizability
23.119184
Polar Surface Area
117.85
Rotatable Bonds
2
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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