Molecule

ID:8655

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClF₃NS
Molecular Mass
277.6931896
Exact Mass
276.99398257
Charge
0
InChI
InChI=1S/C11H7ClF3NS/c12-5-9-6-17-10(16-9)7-1-3-8(4-2-7)11(13,14)15/h1-4,6H,5H2
InChIKey
QOWNNZROJKFRSK-UHFFFAOYSA-N
Canonic Smiles
ClCc1csc(n1)c1ccc(cc1)C(F)(F)F
Isomeric Smiles
c1(nc(sc1)c1ccc(cc1)C(F)(F)F)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2032647
LogD (pH = 7.4)
4.20337
Log P
4.2033715
Molar Refractivity
71.6864
Polarizability
23.22528
Polar Surface Area
12.89
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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