Molecule

ID:96452

General Information
Structure
MolImage
Molecular Formula
C₈H₈F₃NS
Molecular Mass
207.2160296
Exact Mass
207.03295492
Charge
0
InChI
InChI=1S/C8H8F3NS/c1-13-7-5(8(9,10)11)3-2-4-6(7)12/h2-4H,12H2,1H3
InChIKey
QPVGAKXHBBRRCB-UHFFFAOYSA-N
Canonic Smiles
CSc1c(N)cccc1C(F)(F)F
Isomeric Smiles
FC(c1c(c(ccc1)N)SC)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6498134
LogD (pH = 7.4)
2.6503782
Log P
2.6503854
Molar Refractivity
49.491
Polarizability
17.486324
Polar Surface Area
26.02
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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