Molecule

ID:101545

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClF₃NO₂S₂
Molecular Mass
265.6610296
Exact Mass
264.92458268
Charge
0
InChI
InChI=1S/C5H3ClF3NO2S2/c1-2-10-3(5(7,8)9)4(13-2)14(6,11)12/h1H3
InChIKey
VJSJWEMEAXTDRN-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(c(s1)S(=O)(=O)Cl)C(F)(F)F
Isomeric Smiles
c1(c(nc(s1)C)C(F)(F)F)S(=O)(=O)Cl
Calculated Properties
JChem
Molar Refractivity
44.6629
Polarizability
17.807585
Polar Surface Area
47.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1311011
LogD (pH = 7.4)
2.1311011
Log P
2.1311011
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
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References
Bioactivity
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