Molecule

ID:72194

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O₂
Molecular Mass
141.12798
Exact Mass
141.05382648
Charge
0
InChI
InChI=1S/C5H7N3O2/c1-3(9)6-5-7-4(2)10-8-5/h1-2H3,(H,6,8,9)
InChIKey
RECHLHKKOOADPJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1noc(n1)C
Isomeric Smiles
Cc1onc(n1)NC(=O)C
Calculated Properties
JChem
Acid pKa
11.566407
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.30916765
LogD (pH = 7.4)
-0.30919543
Log P
-0.3091673
Molar Refractivity
35.9238
Polarizability
12.249977
Polar Surface Area
68.02
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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