Molecule

ID:97235

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃F₄NO₃S
Molecular Mass
279.2523328
Exact Mass
279.05522716
Charge
0
InChI
InChI=1S/C7H13FN.CHF3O3S/c8-9-4-1-7(2-5-9)3-6-9;2-1(3,4)8(5,6)7/h7H,1-6H2;(H,5,6,7)/q+1;/p-1
InChIKey
ZKZDANKLHFMJKM-UHFFFAOYSA-M
Canonic Smiles
[O-]S(=O)(=O)C(F)(F)F.F[N+]12CCC(CC1)CC2
Isomeric Smiles
[N+]12(CCC(CC1)CC2)F.S(=O)(=O)(C(F)(F)F)[O-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-2.0727463
LogD (pH = 7.4)
-2.0727463
Log P
-2.0727463
Molar Refractivity
37.0504
Polarizability
13.351307
Polar Surface Area
0.0
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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