Molecule

ID:32054

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₃NO₅S
Molecular Mass
271.1705696
Exact Mass
270.97622789
Charge
0
InChI
InChI=1S/C7H4F3NO5S/c8-7(9,10)17(14,15)16-6-3-1-5(2-4-6)11(12)13/h1-4H
InChIKey
NDTIXHNCNLKURN-UHFFFAOYSA-N
Canonic Smiles
FC(S(=O)(=O)Oc1ccc(cc1)[N+](=O)[O-])(F)F
Isomeric Smiles
O(S(=O)(=O)C(F)(F)F)c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1239405
LogD (pH = 7.4)
3.1239405
Log P
3.1239405
Molar Refractivity
48.5665
Polarizability
18.844143
Polar Surface Area
89.19
Rotatable Bonds
4
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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