Molecule

ID:97149

General Information
Structure
Molecular Formula
C₇H₄F₆N₂O₄S₂
Molecular Mass
358.2380792
Exact Mass
357.95166794
Charge
0
InChI
InChI=1S/C7H4F6N2O4S2/c8-6(9,10)20(16,17)15(5-3-1-2-4-14-5)21(18,19)7(11,12)13/h1-4H
InChIKey
DXLQEJHUQKKSRB-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(C(F)(F)F)N(S(=O)(=O)C(F)(F)F)c1ccccn1
Isomeric Smiles
n1c(cccc1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.4236386
LogD (pH = 7.4)
3.4236386
Log P
3.4236386
Molar Refractivity
54.9655
Polarizability
22.459612
Polar Surface Area
84.41
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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