Molecule

ID:40685

General Information
Structure
Molecular Formula
C₁₁H₇ClOS
Molecular Mass
222.69068
Exact Mass
221.99061352
Charge
0
InChI
InChI=1S/C11H7ClOS/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H
InChIKey
JFAKPLYPDADDKE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(s1)c1ccc(cc1)Cl
Isomeric Smiles
c1(sc(cc1)C=O)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8466058
LogD (pH = 7.4)
3.8466058
Log P
3.8466058
Molar Refractivity
59.257
Polarizability
23.700863
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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