Molecule
ID:95628
General Information
Molecular Formula
C₁₀H₇ClF₆N₂O₂S
Molecular Mass
368.6831992
Exact Mass
367.98209547
Charge
0
InChI
InChI=1S/C10H7ClF6N2O2S/c11-4-8(18)19-22(20,21)7-2-5(9(12,13)14)1-6(3-7)10(15,16)17/h1-3H,4H2,(H2,18,19)
InChIKey
YYABOKCHUABDAS-UHFFFAOYSA-N
Canonic Smiles
ClCC(=N)NS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
S(=O)(=O)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=N)CCl
Calculated Properties
JChem
Acid pKa
9.441642
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.873532
LogD (pH = 7.4)
2.8701088
Log P
2.8735871
Molar Refractivity
76.9544
Polarizability
24.957336
Polar Surface Area
70.02
Rotatable Bonds
4
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
No Data Available
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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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