Molecule

ID:37914

General Information
Structure
MolImage
Molecular Formula
C₄H₅N₃O₂
Molecular Mass
127.1014
Exact Mass
127.03817642
Charge
0
InChI
InChI=1S/C4H5N3O2/c1-6-3-4(2-5-6)7(8)9/h2-3H,1H3
InChIKey
CZVJIVYLYOVBRP-UHFFFAOYSA-N
Canonic Smiles
Cn1ncc(c1)[N+](=O)[O-]
Isomeric Smiles
c1([N+](=O)[O-])cn(nc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.34108958
LogD (pH = 7.4)
0.34109005
Log P
0.34109005
Molar Refractivity
41.2819
Polarizability
10.914245
Polar Surface Area
60.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
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
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References
Bioactivity
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