Molecule

ID:86363

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂Cl₂N₂S
Molecular Mass
335.25088
Exact Mass
334.00982475
Charge
0
InChI
InChI=1S/C16H12Cl2N2S/c1-9-3-4-12(10(2)5-9)13-8-21-16(19-13)11-6-14(17)20-15(18)7-11/h3-8H,1-2H3
InChIKey
XNDMBUSFCTVCKP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)c1csc(n1)c1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(c2cc(nc(c2)Cl)Cl)scc1c1c(cc(cc1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.1474605
LogD (pH = 7.4)
6.147498
Log P
6.1474986
Molar Refractivity
100.7899
Polarizability
35.819508
Polar Surface Area
25.78
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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