Molecule

ID:103009

General Information
Structure
MolImage
Molecular Formula
C₂H₈N₄O₃
Molecular Mass
136.10992
Exact Mass
136.05964014
Charge
0
InChI
InChI=1S/CH6N4.CH2O3/c2-1(3)5-4;2-1(3)4/h4H2,(H4,2,3,5);(H2,2,3,4)
InChIKey
OTXHZHQQWQTQMW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)O.NNC(=N)N
Isomeric Smiles
NNC(=N)N.OC(=O)O
Calculated Properties
JChem
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-3.9215941
LogD (pH = 7.4)
-3.8816965
Log P
-1.4684814
Molar Refractivity
40.8357
Polarizability
7.0459237
Polar Surface Area
87.92
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