Molecule

ID:43949

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₄O
Molecular Mass
140.14322
Exact Mass
140.0698109
Charge
0
InChI
InChI=1S/C5H8N4O/c1-9-4(6)3(2-8-9)5(7)10/h2H,6H2,1H3,(H2,7,10)
InChIKey
JGSQVTVXGXOSCH-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cnn(c1N)C
Isomeric Smiles
c1(c(n(nc1)C)N)C(=O)N
Calculated Properties
JChem
Acid pKa
13.380901
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.83830494
LogD (pH = 7.4)
-0.8378936
Log P
-0.8378888
Molar Refractivity
47.9935
Polarizability
12.964438
Polar Surface Area
86.93
Rotatable Bonds
1
Lipinski's Rule of Five
true
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