Molecule

ID:96664

General Information
Structure
MolImage
Molecular Formula
C₁₂H₅Cl₂F₂NOS
Molecular Mass
320.1420064
Exact Mass
318.94369659
Charge
0
InChI
InChI=1S/C12H5Cl2F2NOS/c13-8-3-6(5-17-11(8)14)12(18)19-10-2-1-7(15)4-9(10)16/h1-5H
InChIKey
YPORHXJBSIUMMM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)SC(=O)c1cnc(c(c1)Cl)Cl
Isomeric Smiles
S(c1c(cc(cc1)F)F)C(=O)c1cc(c(nc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.6052337
LogD (pH = 7.4)
4.6052337
Log P
4.6052337
Molar Refractivity
73.251
Polarizability
27.393375
Polar Surface Area
29.96
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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