Molecule

ID:7335

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClF₃NS
Molecular Mass
237.6293296
Exact Mass
236.96268244
Charge
0
InChI
InChI=1S/C8H3ClF3NS/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
InChIKey
AHFPRSSHNSGRCU-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(c(c1)C(F)(F)F)Cl
Isomeric Smiles
c1cc(c(cc1N=C=S)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.476963
LogD (pH = 7.4)
4.476964
Log P
4.476964
Molar Refractivity
53.8994
Polarizability
19.101896
Polar Surface Area
12.36
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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