Molecule

ID:75384

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₄O
Molecular Mass
112.09006
Exact Mass
112.03851077
Charge
0
InChI
InChI=1S/C3H4N4O/c4-2(8)3-5-1-6-7-3/h1H,(H2,4,8)(H,5,6,7)
InChIKey
ZEWJFUNFEABPGL-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1n[nH]cn1
Isomeric Smiles
n1c(nc[nH]1)C(=O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-0.93
LogD (pH = 5.5)
-0.92
Log P
-0.92
Rotatable Bonds
1
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
8.94
Polar Surface Area
84.66
Polarizability
9.51
Molar Refractivity
27.66
LOG S
-0.09
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation