Molecule

ID:7058

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂F₄NO₃S
Molecular Mass
316.0575328
Exact Mass
314.9146822
Charge
0
InChI
InChI=1S/C5H3Cl2FN.CHF3O3S/c6-4-2-1-3-5(7)9(4)8;2-1(3,4)8(5,6)7/h1-3H;(H,5,6,7)/q+1;/p-1
InChIKey
KDFRVNARKRKXQQ-UHFFFAOYSA-M
Canonic Smiles
[O-]S(=O)(=O)C(F)(F)F.F[n+]1c(Cl)cccc1Cl
Isomeric Smiles
c1c([n+](c(cc1)Cl)F)Cl.C(S(=O)(=O)[O-])(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-0.916995
LogD (pH = 7.4)
-0.916995
Log P
-0.916995
Molar Refractivity
36.8836
Polarizability
13.579012
Polar Surface Area
3.88
Rotatable Bonds
1
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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