Molecule

ID:44325

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀F₃NOS
Molecular Mass
249.2527096
Exact Mass
249.04351961
Charge
0
InChI
InChI=1S/C10H10F3NOS/c11-10(12,13)15-8-3-1-7(2-4-8)9-14-5-6-16-9/h1-4,9,14H,5-6H2
InChIKey
HHPRGKSEVFESNQ-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)C1NCCS1)(F)F
Isomeric Smiles
c1cc(ccc1C1SCCN1)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2433894
LogD (pH = 7.4)
2.9580123
Log P
3.5213897
Molar Refractivity
52.5118
Polarizability
21.541233
Polar Surface Area
21.26
Rotatable Bonds
3
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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