Molecule

ID:55755

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀Cl₂N₂
Molecular Mass
181.063
Exact Mass
180.02210369
Charge
0
InChI
InChI=1S/C6H9ClN2.ClH/c1-2-9-5-6(3-7)4-8-9;/h4-5H,2-3H2,1H3;1H
InChIKey
YIGCJROZILJOGO-UHFFFAOYSA-N
Canonic Smiles
ClCc1cnn(c1)CC.Cl
Isomeric Smiles
n1(cc(cn1)CCl)CC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3450806
LogD (pH = 7.4)
1.345155
Log P
1.345156
Molar Refractivity
49.5769
Polarizability
14.41688
Polar Surface Area
17.82
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