Molecule

ID:96758

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClF₂N₂O₂S
Molecular Mass
304.7002864
Exact Mass
303.98848259
Charge
0
InChI
InChI=1S/C11H7ClF2N2O2S/c12-11-9(2-1-5-15-11)16-19(17,18)10-4-3-7(13)6-8(10)14/h1-6,16H
InChIKey
NJIGWIMQQHTNLB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)S(=O)(=O)Nc1cccnc1Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1F)F)Nc1cccnc1Cl
Calculated Properties
JChem
Acid pKa
8.660645
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3525984
LogD (pH = 7.4)
2.3323736
Log P
2.3528645
Molar Refractivity
67.0322
Polarizability
25.833454
Polar Surface Area
59.06
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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