Molecule

ID:40529

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₂
Molecular Mass
203.19736
Exact Mass
203.06947654
Charge
0
InChI
InChI=1S/C10H9N3O2/c1-6-7(2)12-10-5-8(13(14)15)3-4-9(10)11-6/h3-5H,1-2H3
InChIKey
XDRSTGHGOVMLRX-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc2c(c1)nc(c(n2)C)C
Isomeric Smiles
n1c2cc(ccc2nc(c1C)C)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.5017589
LogD (pH = 7.4)
1.5018023
Log P
1.5018029
Molar Refractivity
53.9581
Polarizability
21.442053
Polar Surface Area
71.6
Rotatable Bonds
1
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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