Molecule

ID:53935

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClF₃NS
Molecular Mass
241.6610896
Exact Mass
240.99398257
Charge
0
InChI
InChI=1S/C8H7ClF3NS/c1-2-14-7-4-5(8(10,11)12)3-6(9)13-7/h3-4H,2H2,1H3
InChIKey
DVTZMNVPTUFPIT-UHFFFAOYSA-N
Canonic Smiles
CCSc1nc(Cl)cc(c1)C(F)(F)F
Isomeric Smiles
c1c(nc(cc1C(F)(F)F)SCC)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9333482
LogD (pH = 7.4)
3.9333484
Log P
3.9333484
Molar Refractivity
53.6111
Polarizability
19.367947
Polar Surface Area
12.89
Rotatable Bonds
3
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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