Molecule

ID:68598

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClF₃NS
Molecular Mass
237.6293296
Exact Mass
236.96268244
Charge
0
InChI
InChI=1S/C8H3ClF3NS/c9-7-13-5-2-1-4(8(10,11)12)3-6(5)14-7/h1-3H
InChIKey
YIRRVMGAKFESLR-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2c(s1)cc(cc2)C(F)(F)F
Isomeric Smiles
s1c(nc2c1cc(cc2)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9053328
LogD (pH = 7.4)
3.9053345
Log P
3.9053345
Molar Refractivity
48.1283
Polarizability
18.844635
Polar Surface Area
12.89
Rotatable Bonds
1
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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