Molecule

ID:58079

General Information
Structure
MolImage
Molecular Formula
C₃H₇N₃
Molecular Mass
85.10778
Exact Mass
85.06399724
Charge
0
InChI
InChI=1S/C3H7N3/c1-3(2)5-6-4/h3H,1-2H3
InChIKey
OZLTWYYNOLDSIP-UHFFFAOYSA-N
Canonic Smiles
CC(N=[N+]=[N-])C
Isomeric Smiles
CC(N=[N+]=[N-])C
Calculated Properties
JChem
Acid pKa
4.6819997
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9611047
LogD (pH = 7.4)
0.9611047
Log P
1.0751504
Molar Refractivity
23.7212
Polarizability
8.536388
Polar Surface Area
29.43
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
暂无数据
点击上传数据
References
Bioactivity
Navigation