Molecule

ID:12140

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈F₅NO₃S
Molecular Mass
315.301136
Exact Mass
315.09275554
Charge
0
InChI
InChI=1S/C8H18F2N.CHF3O3S/c1-4-11(5-2,6-3)7-8(9)10;2-1(3,4)8(5,6)7/h8H,4-7H2,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKey
QIUBCQLYIWMRNK-UHFFFAOYSA-M
Canonic Smiles
FC(S(=O)(=O)[O-])(F)F.CC[N+](CC(F)F)(CC)CC
Isomeric Smiles
S(=O)(=O)([O-])C(F)(F)F.C([N+](CC)(CC)CC)C(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-2.4354076
LogD (pH = 7.4)
-2.4354076
Log P
-2.4354076
Molar Refractivity
54.7079
Polarizability
16.375546
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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