Molecule

ID:44329

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀F₃NS
Molecular Mass
233.2533096
Exact Mass
233.04860499
Charge
0
InChI
InChI=1S/C10H10F3NS/c11-10(12,13)8-3-1-7(2-4-8)9-14-5-6-15-9/h1-4,9,14H,5-6H2
InChIKey
YWKHWMITZAALJR-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)C1NCCS1)(F)F
Isomeric Smiles
c1cc(ccc1C1SCCN1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.6798842
LogD (pH = 7.4)
2.3963306
Log P
2.9681265
Molar Refractivity
55.4152
Polarizability
20.772253
Polar Surface Area
12.03
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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