Molecule

ID:109285

General Information
Structure
MolImage
Molecular Formula
CH₇N₅O₃
Molecular Mass
137.09798
Exact Mass
137.05488911
Charge
0
InChI
InChI=1S/CH6N4.HNO3/c2-1(3)5-4;2-1(3)4/h4H2,(H4,2,3,5);(H,2,3,4)
InChIKey
PMGFHEJUUBDCLU-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)O.NNC(=N)N
Isomeric Smiles
O[N+](=O)[O-].NNC(=N)N
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