Molecule
ID:95323
General Information
Molecular Formula
C₈H₇ClF₂N₂O₂S
Molecular Mass
268.6681864
Exact Mass
267.98848259
Charge
0
InChI
InChI=1S/C8H7ClF2N2O2S/c9-4-8(12)13-16(14,15)7-2-1-5(10)3-6(7)11/h1-3H,4H2,(H2,12,13)
InChIKey
WYDNOPFOFJRWDU-UHFFFAOYSA-N
Canonic Smiles
ClCC(=N)NS(=O)(=O)c1ccc(cc1F)F
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1F)F)NC(=N)CCl
Calculated Properties
JChem
Acid pKa
7.91849
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.4018192
LogD (pH = 7.4)
1.3030894
Log P
1.4032941
Molar Refractivity
65.4398
Polarizability
21.555635
Polar Surface Area
70.02
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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