Molecule

ID:64203

General Information
Structure
MolImage
Molecular Formula
C₇H₈F₃NS
Molecular Mass
195.2053296
Exact Mass
195.03295492
Charge
0
InChI
InChI=1S/C7H8F3NS/c1-4(2)6-11-5(3-12-6)7(8,9)10/h3-4H,1-2H3
InChIKey
PRLMUSHZOWBWAM-UHFFFAOYSA-N
Canonic Smiles
CC(c1scc(n1)C(F)(F)F)C
Isomeric Smiles
c1(nc(sc1)C(C)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2623181
LogD (pH = 7.4)
3.262324
Log P
3.2623243
Molar Refractivity
40.5102
Polarizability
14.901963
Polar Surface Area
12.89
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
No Data Available
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Molecule Details
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References
Bioactivity
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