Molecule

ID:98452

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₃NO₂S
Molecular Mass
225.1882496
Exact Mass
225.0071341
Charge
0
InChI
InChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)6-3-1-5(11)2-4-6/h1-4H,11H2
InChIKey
GNVFCXUZQGCXPB-UHFFFAOYSA-N
Canonic Smiles
FC(S(=O)(=O)c1ccc(cc1)N)(F)F
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.093018
LogD (pH = 7.4)
2.0930388
Log P
2.093039
Molar Refractivity
44.592
Polarizability
17.027779
Polar Surface Area
60.16
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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