Molecule

ID:63126

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁Cl₂N₃
Molecular Mass
196.07764
Exact Mass
195.03300273
Charge
0
InChI
InChI=1S/C6H9N3.2ClH/c7-9-5-6-2-1-3-8-4-6;;/h1-4,9H,5,7H2;2*1H
InChIKey
GYVCZQLWOYQHGC-UHFFFAOYSA-N
Canonic Smiles
NNCc1cccnc1.Cl.Cl
Isomeric Smiles
Cl.n1cc(CNN)ccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.46051294
LogD (pH = 7.4)
-0.30569157
Log P
-0.30331358
Molar Refractivity
47.3514
Polarizability
14.121617
Polar Surface Area
50.94
Rotatable Bonds
2
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