Molecule

ID:43552

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)7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKey
PJHYEBDREIJPKX-UHFFFAOYSA-N
Canonic Smiles
CNS(=O)(=O)c1ccc(cc1)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)Cl)NC
Calculated Properties
JChem
Acid pKa
9.64254
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4069697
LogD (pH = 7.4)
1.4048032
Log P
1.4069973
Molar Refractivity
47.9174
Polarizability
19.383846
Polar Surface Area
46.17
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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