Molecule

ID:66545

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClNO₂S
Molecular Mass
193.65122
Exact Mass
192.99642718
Charge
0
InChI
InChI=1S/C6H7NO2S.ClH/c1-9-6(8)4-2-10-3-5(4)7;/h2-3H,7H2,1H3;1H
InChIKey
JGIRDDQLZLXRKQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cscc1N.Cl
Isomeric Smiles
c1c(c(cs1)N)C(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5782387
LogD (pH = 7.4)
1.5782387
Log P
1.5782387
Molar Refractivity
39.8895
Polarizability
14.6155815
Polar Surface Area
52.32
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