Molecule

ID:43553

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNO₂S
Molecular Mass
205.66192
Exact Mass
204.99642718
Charge
0
InChI
InChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey
OSFAUZAAZLLTSW-UHFFFAOYSA-N
Canonic Smiles
CNS(=O)(=O)c1ccccc1Cl
Isomeric Smiles
S(=O)(=O)(c1c(Cl)cccc1)NC
Calculated Properties
JChem
Acid pKa
9.095977
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4068998
LogD (pH = 7.4)
1.3993345
Log P
1.4069973
Molar Refractivity
47.9174
Polarizability
19.405344
Polar Surface Area
46.17
Rotatable Bonds
1
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