Molecule

ID:67738

General Information
Structure
MolImage
Molecular Formula
C₇H₂ClF₃N₂S
Molecular Mass
238.6173896
Exact Mass
237.95793141
Charge
0
InChI
InChI=1S/C7H2ClF3N2S/c8-5-4-3(1-2-14-4)12-6(13-5)7(9,10)11/h1-2H
InChIKey
ZUEIVUWZCAKOPP-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(nc2c1scc2)C(F)(F)F
Isomeric Smiles
c1(nc2c(c(n1)Cl)scc2)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7234335
LogD (pH = 7.4)
3.7234335
Log P
3.7234335
Molar Refractivity
47.1911
Polarizability
18.042776
Polar Surface Area
25.78
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
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Molecule Details
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References
Bioactivity
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