Molecule

ID:81644

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClO₂S
Molecular Mass
190.64728
Exact Mass
189.98552814
Charge
0
InChI
InChI=1S/C7H7ClO2S/c1-4-3-11-6(5(4)8)7(9)10-2/h3H,1-2H3
InChIKey
BUFSIDWTJVUAER-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1scc(c1Cl)C
Isomeric Smiles
s1c(c(c(c1)C)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0070703
LogD (pH = 7.4)
3.0070703
Log P
3.0070703
Molar Refractivity
44.8192
Polarizability
17.197136
Polar Surface Area
26.3
Rotatable Bonds
2
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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