Molecule

ID:42125

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClF₃N₂S
Molecular Mass
228.6225696
Exact Mass
227.97358148
Charge
0
InChI
InChI=1S/C6H4ClF3N2S/c1-13-5-11-3(6(8,9)10)2-4(7)12-5/h2H,1H3
InChIKey
GOORQLLDZBAQIW-UHFFFAOYSA-N
Canonic Smiles
CSc1nc(Cl)cc(n1)C(F)(F)F
Isomeric Smiles
n1c(nc(cc1Cl)C(F)(F)F)SC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4446592
LogD (pH = 7.4)
3.4446592
Log P
3.4446592
Molar Refractivity
46.895
Polarizability
16.839684
Polar Surface Area
25.78
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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