Molecule

ID:94294

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₃NS
Molecular Mass
203.1842696
Exact Mass
203.00165479
Charge
0
InChI
InChI=1S/C8H4F3NS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H
InChIKey
ONQNILXHGUBPPM-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)SC(F)(F)F
Isomeric Smiles
S(c1ccc(cc1)C#N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7980683
LogD (pH = 7.4)
3.7980683
Log P
3.7980683
Molar Refractivity
44.7651
Polarizability
16.40602
Polar Surface Area
23.79
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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