Molecule

ID:97641

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₃NO₂S
Molecular Mass
211.1616696
Exact Mass
210.99148403
Charge
0
InChI
InChI=1S/C6H4F3NO2S/c1-12-4(11)3-2-10-5(13-3)6(7,8)9/h2H,1H3
InChIKey
DWCXODOIGIYQGX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(s1)C(F)(F)F
Isomeric Smiles
s1c(ncc1C(=O)OC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0233483
LogD (pH = 7.4)
2.0233483
Log P
2.0233483
Molar Refractivity
38.5267
Polarizability
14.263057
Polar Surface Area
39.19
Rotatable Bonds
3
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
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References
Bioactivity
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