Molecule

ID:53596

General Information
Structure
MolImage
Molecular Formula
CH₅N₅O
Molecular Mass
103.0833
Exact Mass
103.04940981
Charge
0
InChI
InChI=1S/CH3N5.H2O/c2-1-3-5-6-4-1;/h(H3,2,3,4,5,6);1H2
InChIKey
JVSMPWHQUPKRNV-UHFFFAOYSA-N
Canonic Smiles
Nc1nnn[nH]1.O
Isomeric Smiles
n1c([nH]nn1)N.O
Calculated Properties
JChem
Acid pKa
4.535975
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.8363692
LogD (pH = 7.4)
-2.5043395
Log P
-0.9156403
Molar Refractivity
22.4923
Polarizability
6.703063
Polar Surface Area
80.48
Rotatable Bonds
0
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