Molecule

ID:61764

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₂
Molecular Mass
203.19736
Exact Mass
203.06947654
Charge
0
InChI
InChI=1S/C10H9N3O2/c1-12-10(6-7-11-12)8-2-4-9(5-3-8)13(14)15/h2-7H,1H3
InChIKey
RYDRFLGHCCWBPA-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)c1ccnn1C
Isomeric Smiles
[N+](=O)(c1ccc(c2n(ncc2)C)cc1)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9082084
LogD (pH = 7.4)
1.9083152
Log P
1.9083165
Molar Refractivity
67.2998
Polarizability
21.692482
Polar Surface Area
63.64
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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