Molecule

ID:55536

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃Cl₂N₃
Molecular Mass
198.09352
Exact Mass
197.04865279
Charge
0
InChI
InChI=1S/C6H11N3.2ClH/c1-2-9-4-3-8-6(9)5-7;;/h3-4H,2,5,7H2,1H3;2*1H
InChIKey
PFXWXXPUWBCHIL-UHFFFAOYSA-N
Canonic Smiles
NCc1nccn1CC.Cl.Cl
Isomeric Smiles
c1(n(ccn1)CC)CN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8018808
LogD (pH = 7.4)
-1.1567463
Log P
-0.3658053
Molar Refractivity
36.4585
Polarizability
14.107434
Polar Surface Area
43.84
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