Molecule

ID:53281

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁Cl₂NS
Molecular Mass
260.18274
Exact Mass
258.99892572
Charge
0
InChI
InChI=1S/C11H10ClNS.ClH/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11;/h1-6H,7,13H2;1H
InChIKey
OGIWIXDYSIQBDS-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(s1)c1ccc(cc1)Cl.Cl
Isomeric Smiles
Cl.c1(ccc(s1)c1ccc(cc1)Cl)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.38635662
LogD (pH = 7.4)
1.7729688
Log P
3.2598717
Molar Refractivity
61.1464
Polarizability
25.169798
Polar Surface Area
26.02
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