Molecule

ID:99175

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀F₃NO₃S
Molecular Mass
279.3202096
Exact Mass
279.11159917
Charge
0
InChI
InChI=1S/C8H20N.CHF3O3S/c1-5-9(6-2,7-3)8-4;2-1(3,4)8(5,6)7/h5-8H2,1-4H3;(H,5,6,7)/q+1;/p-1
InChIKey
PUZYNDBTWXJXKN-UHFFFAOYSA-M
Canonic Smiles
FC(S(=O)(=O)[O-])(F)F.CC[N+](CC)(CC)CC
Isomeric Smiles
[N+](CC)(CC)(CC)CC.S(=O)(=O)(C(F)(F)F)[O-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-2.5449352
LogD (pH = 7.4)
-2.5449352
Log P
-2.5449352
Molar Refractivity
54.8961
Polarizability
16.958946
Polar Surface Area
0.0
Rotatable Bonds
5
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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