Molecule

ID:8490

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₃S
Molecular Mass
178.1748096
Exact Mass
178.00640582
Charge
0
InChI
InChI=1S/C7H5F3S/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
InChIKey
YQQKTCBMKQQOSM-UHFFFAOYSA-N
Canonic Smiles
FC(Sc1ccccc1)(F)F
Isomeric Smiles
c1cccc(c1)SC(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.941972
LogD (pH = 7.4)
3.941972
Log P
3.941972
Molar Refractivity
39.0435
Polarizability
14.533578
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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