Molecule

ID:96623

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄F₃NS
Molecular Mass
285.3278696
Exact Mass
285.07990511
Charge
0
InChI
InChI=1S/C14H14F3NS/c1-13(2,3)11-8-19-12(18-11)9-4-6-10(7-5-9)14(15,16)17/h4-8H,1-3H3
InChIKey
GUQJLVWMPYTGLY-UHFFFAOYSA-N
Canonic Smiles
CC(c1csc(n1)c1ccc(cc1)C(F)(F)F)(C)C
Isomeric Smiles
n1c(c2ccc(cc2)C(F)(F)F)scc1C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.46532
LogD (pH = 7.4)
5.465561
Log P
5.465564
Molar Refractivity
80.6356
Polarizability
26.671457
Polar Surface Area
12.89
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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