Molecule

ID:96087

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClF₃N₂S
Molecular Mass
266.6705496
Exact Mass
265.98923154
Charge
0
InChI
InChI=1S/C9H6ClF3N2S/c1-5-2-7(9(11,12)13)6(3-14)8(15-5)16-4-10/h2H,4H2,1H3
InChIKey
VIRWYNOSGKHJKP-UHFFFAOYSA-N
Canonic Smiles
ClCSc1nc(C)cc(c1C#N)C(F)(F)F
Isomeric Smiles
n1c(c(c(cc1C)C(F)(F)F)C#N)SCCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1534069
LogD (pH = 7.4)
3.1534097
Log P
3.15341
Molar Refractivity
57.7475
Polarizability
21.085222
Polar Surface Area
36.68
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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