Molecule

ID:131292

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClF₃N₂S
Molecular Mass
284.7288896
Exact Mass
284.03618173
Charge
0
InChI
InChI=1S/C10H11F3N2S.ClH/c1-2-16-9(14)15-8-5-3-7(4-6-8)10(11,12)13;/h3-6H,2H2,1H3,(H2,14,15);1H
InChIKey
UVJQIYZYQQKIAC-UHFFFAOYSA-N
Canonic Smiles
CCSC(=N)Nc1ccc(cc1)C(F)(F)F.Cl
Isomeric Smiles
CCSC(=N)Nc1ccc(cc1)C(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.7981482
LogD (pH = 7.4)
3.3202772
Log P
3.728417
Molar Refractivity
72.0838
Polarizability
21.89673
Polar Surface Area
35.88
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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