Molecule

ID:67152

General Information
Structure
Molecular Formula
C₆H₆ClNO₂S
Molecular Mass
191.63534
Exact Mass
190.98077712
Charge
0
InChI
InChI=1S/C6H6ClNO2S/c1-10-6(9)4-3-11-5(2-7)8-4/h3H,2H2,1H3
InChIKey
SRDRWIMXEFYHIK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1csc(n1)CCl
Isomeric Smiles
s1c(nc(c1)C(=O)OC)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4817741
LogD (pH = 7.4)
1.4817744
Log P
1.4817744
Molar Refractivity
42.1136
Polarizability
16.40174
Polar Surface Area
39.19
Rotatable Bonds
3
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