Molecule

ID:67964

General Information
Structure
Molecular Formula
C₅H₅N₃O₂
Molecular Mass
139.1121
Exact Mass
139.03817642
Charge
0
InChI
InChI=1S/C5H5N3O2/c6-4-2-1-3-5(7-4)8(9)10/h1-3H,(H2,6,7)
InChIKey
JMAGBGSWLILKOC-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(n1)[N+](=O)[O-]
Isomeric Smiles
c1(cccc(n1)[N+](=O)[O-])N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.0555466
LogD (pH = 7.4)
1.0555466
Log P
1.0555466
Molar Refractivity
35.549
Polarizability
12.535874
Polar Surface Area
82.05
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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