Molecule

ID:96301

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀F₂N₂O₂S
Molecular Mass
284.2818064
Exact Mass
284.04310501
Charge
0
InChI
InChI=1S/C12H10F2N2O2S/c13-8-1-6-12(11(14)7-8)16-19(17,18)10-4-2-9(15)3-5-10/h1-7,16H,15H2
InChIKey
LYWJIXGZACXKRN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1F)F
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)N)Nc1ccc(cc1F)F
Calculated Properties
JChem
Acid pKa
8.984502
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.9171199
LogD (pH = 7.4)
1.9075139
Log P
1.917389
Molar Refractivity
68.0234
Polarizability
25.794895
Polar Surface Area
72.19
Rotatable Bonds
2
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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