Molecule

ID:94016

General Information
Structure
MolImage
Molecular Formula
C₁₂H₆ClFN₂S
Molecular Mass
264.7058432
Exact Mass
263.9924251
Charge
0
InChI
InChI=1S/C12H6ClFN2S/c13-11-10-9(5-17-12(10)16-6-15-11)7-1-3-8(14)4-2-7/h1-6H
InChIKey
CPLNBRLGQDLEKP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1csc2c1c(Cl)ncn2
Isomeric Smiles
s1cc(c2ccc(cc2)F)c2c1ncnc2Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9073699
LogD (pH = 7.4)
3.9073715
Log P
3.9073715
Molar Refractivity
67.2337
Polarizability
26.607807
Polar Surface Area
25.78
Rotatable Bonds
1
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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