Molecule

ID:57645

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O₂
Molecular Mass
141.12798
Exact Mass
141.05382648
Charge
0
InChI
InChI=1S/C5H7N3O2/c1-4-5(8(9)10)3-7(2)6-4/h3H,1-2H3
InChIKey
AKFKERAVXIGUNB-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(c(c1)[N+](=O)[O-])C
Isomeric Smiles
n1c(c(cn1C)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.4724523
LogD (pH = 7.4)
0.47246012
Log P
0.47246024
Molar Refractivity
45.8734
Polarizability
12.649534
Polar Surface Area
60.96
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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