Molecule

ID:64631

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNO₂S
Molecular Mass
205.66192
Exact Mass
204.99642718
Charge
0
InChI
InChI=1S/C7H8ClNO2S/c1-3-11-6(10)5-4(2)12-7(8)9-5/h3H2,1-2H3
InChIKey
HPTJVXQXCVATIH-UHFFFAOYSA-N
Canonic Smiles
Cc1sc(nc1C(=O)OCC)Cl
Isomeric Smiles
s1c(c(nc1Cl)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7380488
LogD (pH = 7.4)
2.738049
Log P
2.738049
Molar Refractivity
47.7505
Polarizability
18.288462
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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