Molecule

ID:93282

General Information
Structure
MolImage
Molecular Formula
C₄HF₁₀NO₄S₂
Molecular Mass
381.169072
Exact Mass
380.91873172
Charge
0
InChI
InChI=1S/C4HF10NO4S2/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h15H
InChIKey
DOYSIZKQWJYULQ-UHFFFAOYSA-N
Canonic Smiles
FC(S(=O)(=O)NS(=O)(=O)C(C(F)(F)F)(F)F)(C(F)(F)F)F
Isomeric Smiles
S(=O)(=O)(NS(=O)(=O)C(C(F)(F)F)(F)F)C(F)(F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
-0.07462919
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.2291446
LogD (pH = 7.4)
3.2291455
Log P
2.321088
Molar Refractivity
44.1126
Polarizability
18.185072
Polar Surface Area
80.31
Rotatable Bonds
4
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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