Molecule

ID:78978

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClNOS
Molecular Mass
187.64664
Exact Mass
186.9858625
Charge
0
InChI
InChI=1S/C7H6ClNOS/c1-11-7-5(6(8)10)3-2-4-9-7/h2-4H,1H3
InChIKey
OCEMBWMMHUSVMT-UHFFFAOYSA-N
Canonic Smiles
CSc1ncccc1C(=O)Cl
Isomeric Smiles
n1c(c(ccc1)C(=O)Cl)SC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1689668
LogD (pH = 7.4)
2.1691582
Log P
2.1691606
Molar Refractivity
48.0882
Polarizability
18.116253
Polar Surface Area
29.96
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