Molecule

ID:10369

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClF₃NO₃S₂
Molecular Mass
317.6925296
Exact Mass
316.9194973
Charge
0
InChI
InChI=1S/C8H3ClF3NO3S2/c9-18(14,15)7-2-1-5(17-7)4-3-6(16-13-4)8(10,11)12/h1-3H
InChIKey
TWGONVLMWWEOFL-UHFFFAOYSA-N
Canonic Smiles
FC(c1onc(c1)c1ccc(s1)S(=O)(=O)Cl)(F)F
Isomeric Smiles
o1nc(cc1C(F)(F)F)c1sc(cc1)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0581636
LogD (pH = 7.4)
3.0581636
Log P
3.0581636
Molar Refractivity
58.3594
Polarizability
23.603779
Polar Surface Area
60.17
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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