Molecule

ID:66480

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₂
Molecular Mass
203.19736
Exact Mass
203.06947654
Charge
0
InChI
InChI=1S/C10H9N3O2/c14-13(15)10-4-2-9(3-5-10)8-12-7-1-6-11-12/h1-7H,8H2
InChIKey
ZFWQFBNNHCBSFT-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)Cn1cccn1
Isomeric Smiles
n1(nccc1)Cc1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.06544
LogD (pH = 7.4)
2.0655615
Log P
2.0655632
Molar Refractivity
65.8945
Polarizability
20.37009
Polar Surface Area
60.96
Rotatable Bonds
3
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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