N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,5-dichlorophenyl)oxamide
Formula:C16H11N3O4Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,5-dichlorophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,5-dichlorophenyl)oxamide |
| MolecularFormula | C16H11N3O4Cl2 |
| Smiles | O=C(C(N/N=C\c(cc1)cc2c1OCO2)=O)Nc(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C16H11Cl2N3O4/c17-10-2-3-11(18)12(6-10)20-15(22)16(23)21-19-7-9-1-4-13-14(5-9)25-8-24-13/h1-7H,8H2,(H,20,22)(H,21,23) |
| InChIK | DRGZTLCGXHPQGH-UHFFFAOYSA-N |
| TotalMolweight | 380.186 |
| Molweight | 380.186 |
| MonoisotopicMass | 379.012661 |
| CLogP | 3.4673 |
| CLogS | -5.708 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 267.3 |
| Relative PSA | 0.3012 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 3.5957 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,5-dichlorophenyl)oxamide | 2 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,5-dichlorophenyl)oxamide
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