Molecule

ID:93540

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄ClF₄N₂O₃S+
Molecular Mass
329.7199728
Exact Mass
329.03497888
Charge
1
InChI
InChI=1S/C7H14ClFN2.CHF3O3S/c8-7-10-1-4-11(9,5-2-10)6-3-10;2-1(3,4)8(5,6)7/h1-7H2;(H,5,6,7)/q+2;/p-1
InChIKey
PNOJEAGGCNEQDC-UHFFFAOYSA-M
Canonic Smiles
FC(S(=O)(=O)[O-])(F)F.ClC[N+]12CC[N+](CC1)(CC2)F
Isomeric Smiles
[N+]12(CC[N+](CC1)(CC2)F)CCl.S(=O)(=O)(C(F)(F)F)[O-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-6.6095834
LogD (pH = 7.4)
-6.6095834
Log P
-6.6095834
Molar Refractivity
56.7255
Polarizability
16.74862
Polar Surface Area
0.0
Rotatable Bonds
2
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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