Molecule

ID:99155

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₆F₃NO₃S
Molecular Mass
391.5328496
Exact Mass
391.23679968
Charge
0
InChI
InChI=1S/C16H36N.CHF3O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)8(5,6)7/h5-16H2,1-4H3;(H,5,6,7)/q+1;/p-1
InChIKey
YNJQKNVVBBIPBA-UHFFFAOYSA-M
Canonic Smiles
FC(S(=O)(=O)[O-])(F)F.CCCC[N+](CCCC)(CCCC)CCCC
Isomeric Smiles
[N+](CCCC)(CCCC)(CCCC)CCCC.S(=O)(=O)(C(F)(F)F)[O-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.3234289
LogD (pH = 7.4)
1.3234289
Log P
1.3234289
Molar Refractivity
91.3961
Polarizability
31.734425
Polar Surface Area
0.0
Rotatable Bonds
13
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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