Molecule

ID:40933

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClO₂S
Molecular Mass
238.69008
Exact Mass
237.98552814
Charge
0
InChI
InChI=1S/C11H7ClO2S/c12-8-1-4-10(5-2-8)15-11-6-3-9(7-13)14-11/h1-7H
InChIKey
HVUPEZXYRPDLNI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)Sc1ccc(cc1)Cl
Isomeric Smiles
c1(oc(cc1)C=O)Sc1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.62808
LogD (pH = 7.4)
3.62808
Log P
3.62808
Molar Refractivity
61.7751
Polarizability
23.62356
Polar Surface Area
30.21
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
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Molecule Details
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References
Bioactivity
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