Molecule
ID:101672
General Information
Molecular Formula
C₆H₃ClF₃NO₂S
Molecular Mass
245.6067296
Exact Mass
244.95251168
Charge
0
InChI
InChI=1S/C6H3ClF3NO2S/c7-14(12,13)5-3-4(1-2-11-5)6(8,9)10/h1-3H
InChIKey
IIPALDGMMNCAEK-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccnc(c1)S(=O)(=O)Cl)(F)F
Isomeric Smiles
S(=O)(=O)(c1cc(C(F)(F)F)ccn1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1741824
LogD (pH = 7.4)
2.1741824
Log P
2.1741824
Molar Refractivity
44.3825
Polarizability
17.11515
Polar Surface Area
47.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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