Molecule

ID:18770

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₄O₂
Molecular Mass
142.11604
Exact Mass
142.04907545
Charge
0
InChI
InChI=1S/C4H6N4O2/c1-2(9)6-4-3(5)7-10-8-4/h1H3,(H2,5,7)(H,6,8,9)
InChIKey
GVZQUWHSBVLLCC-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1nonc1N
Isomeric Smiles
c1(c(non1)N)NC(=O)C
Calculated Properties
JChem
Acid pKa
10.444569
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.84021413
LogD (pH = 7.4)
-0.84058166
Log P
-0.8402094
Molar Refractivity
36.619
Polarizability
11.6928005
Polar Surface Area
94.04
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
References
Bioactivity
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