Molecule

ID:12160

General Information
Structure
MolImage
Molecular Formula
C₄H₃F₃N₂O₂S
Molecular Mass
200.1390296
Exact Mass
199.98673301
Charge
0
InChI
InChI=1S/C4H3F3N2O2S/c5-4(6,7)12(10,11)9-2-1-8-3-9/h1-3H
InChIKey
YGABUCCNCBMODG-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(C(F)(F)F)n1cncc1
Isomeric Smiles
C(S(=O)(=O)n1ccnc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.7653794
LogD (pH = 7.4)
0.7778711
Log P
0.7780343
Molar Refractivity
32.3345
Polarizability
13.070412
Polar Surface Area
51.96
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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