Molecule

ID:40934

General Information
Structure
Molecular Formula
C₁₁H₇ClOS₂
Molecular Mass
254.75568
Exact Mass
253.96268452
Charge
0
InChI
InChI=1S/C11H7ClOS2/c12-8-1-3-9(4-2-8)14-11-6-5-10(7-13)15-11/h1-7H
InChIKey
LUQJCKBNBFDXJC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(s1)Sc1ccc(cc1)Cl
Isomeric Smiles
c1(sc(cc1)C=O)Sc1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.55742
LogD (pH = 7.4)
4.55742
Log P
4.55742
Molar Refractivity
66.1807
Polarizability
25.41338
Polar Surface Area
17.07
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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