Molecule

ID:56785

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉ClOS
Molecular Mass
236.71726
Exact Mass
236.00626359
Charge
0
InChI
InChI=1S/C12H9ClOS/c1-8-7-10(12(13)14)15-11(8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
JTCPDTXWCIENCY-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(sc1c1ccccc1)C(=O)Cl
Isomeric Smiles
s1c(c(cc1C(=O)Cl)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2343926
LogD (pH = 7.4)
4.2343926
Log P
4.2343926
Molar Refractivity
64.0241
Polarizability
25.449394
Polar Surface Area
17.07
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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