Molecule

ID:66474

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₂
Molecular Mass
203.19736
Exact Mass
203.06947654
Charge
0
InChI
InChI=1S/C10H9N3O2/c1-8-11-6-7-12(8)9-2-4-10(5-3-9)13(14)15/h2-7H,1H3
InChIKey
GSDHPOQTEXEBDN-UHFFFAOYSA-N
Canonic Smiles
Cc1nccn1c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1(nccn1c1ccc(cc1)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.39935514
LogD (pH = 7.4)
1.3574206
Log P
1.4973
Molar Refractivity
64.7676
Polarizability
21.041971
Polar Surface Area
60.96
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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