Molecule

ID:120766

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O₂
Molecular Mass
141.12798
Exact Mass
141.05382648
Charge
0
InChI
InChI=1S/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2H3
InChIKey
IBXPYPUJPLLOIN-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cnc(n1C)C
Isomeric Smiles
c1(n(c(nc1)C)C)[N+](=O)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
0.23
LogD (pH = 5.5)
0.23
Log P
0.23
Rotatable Bonds
1
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.12
Polar Surface Area
60.96
Polarizability
13.09
Molar Refractivity
33.92
LOG S
-0.59
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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