Molecule

ID:94219

General Information
Structure
MolImage
Molecular Formula
C₇H₈F₃N₃O₄S₂
Molecular Mass
319.2813296
Exact Mass
318.99083241
Charge
0
InChI
InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17)
InChIKey
KRVABEGPNKGLOT-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(c(cc1S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F
Isomeric Smiles
S(=O)(=O)(c1c(cc(c(c1)S(=O)(=O)N)C(F)(F)F)N)N
Calculated Properties
JChem
Acid pKa
9.138324
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.7658586
LogD (pH = 7.4)
-0.7727398
Log P
-0.76577014
Molar Refractivity
61.0479
Polarizability
23.728632
Polar Surface Area
146.34
Rotatable Bonds
3
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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