General Information of the Compound
| Compound ID |
CP0157806
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| Compound Name |
N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)acetamide
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| Structure |
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| Formula |
C9H8N2O4S
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| Molecular Weight |
240.24
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| Canonical SMILES |
CC(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
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| InChI |
InChI=1S/C9H8N2O4S/c1-5(12)10-6-2-3-8-7(4-6)9(13)11-16(8,14)15/h2-4H,1H3,(H,10,12)(H,11,13)
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| InChIKey |
UPJGYJRRHLQFMW-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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