Molecule

ID:98162

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂BF₃O₃S
Molecular Mass
326.1831896
Exact Mass
326.13348062
Charge
0
InChI
InChI=1S/C13H22BF3O3S/c15-13(16,17)21(18,19)20-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey
FBVDLYBQGQLANQ-UHFFFAOYSA-N
Canonic Smiles
FC(S(=O)(=O)OB(C1CCCCC1)C1CCCCC1)(F)F
Isomeric Smiles
O(B(C1CCCCC1)C1CCCCC1)S(=O)(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.3794
LogD (pH = 7.4)
6.3794
Log P
6.3794
Molar Refractivity
68.6289
Polarizability
29.416473
Polar Surface Area
43.37
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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