General Information of the Compound
| Compound ID |
CP0063441
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| Compound Name |
6-Formyl-pyridine-2-carbothioic acid S-(3,4-dichloro-phenyl) ester
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| Structure |
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| Formula |
C13H7Cl2NO2S
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| Molecular Weight |
312.177
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| Canonical SMILES |
Clc1ccc(SC(=O)c2cccc(C=O)n2)cc1Cl
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| InChI |
InChI=1S/C13H7Cl2NO2S/c14-10-5-4-9(6-11(10)15)19-13(18)12-3-1-2-8(7-17)16-12/h1-7H
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| InChIKey |
SUCSXTJKFXDAES-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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