Molecule

ID:8326

General Information
Structure
Molecular Formula
C₇H₄ClF₃S
Molecular Mass
212.6198696
Exact Mass
211.96743347
Charge
0
InChI
InChI=1S/C7H4ClF3S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
InChIKey
ATFBQTUDGRJCNB-UHFFFAOYSA-N
Canonic Smiles
FC(Sc1ccc(cc1)Cl)(F)F
Isomeric Smiles
c1c(ccc(c1)SC(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5460167
LogD (pH = 7.4)
4.5460167
Log P
4.5460167
Molar Refractivity
43.8483
Polarizability
16.525291
Polar Surface Area
0.0
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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