Molecule

ID:67092

General Information
Structure
MolImage
Molecular Formula
C₇H₂ClF₂NS
Molecular Mass
205.6122864
Exact Mass
204.95645419
Charge
0
InChI
InChI=1S/C7H2ClF2NS/c8-7-11-6-4(10)1-3(9)2-5(6)12-7/h1-2H
InChIKey
LZXONCQHRWRSKB-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c2c(c1)sc(n2)Cl
Isomeric Smiles
s1c(nc2c1cc(cc2F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3128898
LogD (pH = 7.4)
3.31289
Log P
3.31289
Molar Refractivity
42.5874
Polarizability
17.110779
Polar Surface Area
12.89
Rotatable Bonds
0
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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