Molecule

ID:96960

General Information
Structure
Molecular Formula
C₁₂H₈ClFO₂S
Molecular Mass
270.7071232
Exact Mass
269.9917564
Charge
0
InChI
InChI=1S/C12H8ClFO2S/c13-17(15,16)12-7-3-10(4-8-12)9-1-5-11(14)6-2-9/h1-8H
InChIKey
CIDMHDJTWVMBIF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
Fc1ccc(cc1)c1ccc(cc1)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7094762
LogD (pH = 7.4)
3.7094762
Log P
3.7094762
Molar Refractivity
65.6048
Polarizability
26.951149
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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