Molecule

ID:64376

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNO₂S
Molecular Mass
205.66192
Exact Mass
204.99642718
Charge
0
InChI
InChI=1S/C7H8ClNO2S/c1-2-11-6(10)3-5-4-12-7(8)9-5/h4H,2-3H2,1H3
InChIKey
GNTXHMCYDPZYQU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1csc(n1)Cl
Isomeric Smiles
s1cc(nc1Cl)CC(=O)OCC
Calculated Properties
JChem
Acid pKa
19.24406
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0723515
LogD (pH = 7.4)
2.0723536
Log P
2.0723536
Molar Refractivity
46.7456
Polarizability
18.367779
Polar Surface Area
39.19
Rotatable Bonds
4
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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