Molecule

ID:97459

General Information
Structure
MolImage
Molecular Formula
C₈H₇F₃S
Molecular Mass
192.2013896
Exact Mass
192.02205588
Charge
0
InChI
InChI=1S/C8H7F3S/c1-6-2-4-7(5-3-6)12-8(9,10)11/h2-5H,1H3
InChIKey
IAOHBKBYKBEMSM-UHFFFAOYSA-N
Canonic Smiles
FC(Sc1ccc(cc1)C)(F)F
Isomeric Smiles
S(c1ccc(cc1)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4553933
LogD (pH = 7.4)
4.4553933
Log P
4.4553933
Molar Refractivity
44.0847
Polarizability
16.265108
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
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References
Bioactivity
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