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Chem Triclabendazole 2 | Cheminformatics

Triclabendazole


  • SKU Code: CH137814
Chemical Name - Triclabendazole
Mol Weight - 359.663
Smiles - CSc([nH]c1c2)nc1cc(Oc1cccc(Cl)c1Cl)c2Cl
Property Name Property Value
Mol NameTriclabendazole
Molweight359.663
Monoisotopic Mass357.950114
Clogp5.1921
Clogs-6.949
H Acceptors3
H Donors1
Total Surface Area241.96
Relative Psa0.21677
Polar Surface Area63.21
Druglikeness-0.36731
Mutageniclow
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Shape Index0.57143
Molecular Flexibility0.35714
Molecular Complexity0.81483
Fragments1
Non H Atoms21
Non Ch Atoms7
Electronegative Atoms7
Rotatable Bonds3
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms15
Sp3 Atoms3
Aromatic Nitrogens2
Basic Nitrogens1
SmilesCSc([nH]c1c2)nc1cc(Oc1cccc(Cl)c1Cl)c2Cl
InChIKeyInChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)
InChINQPDXQQQCQDHHW-UHFFFAOYSA-N

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