N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-naphthalen-1-yloxamide
Formula:C21H17N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-naphthalen-1-yloxamide is a drug-like molecule.
| MolName | N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-naphthalen-1-yloxamide |
| MolecularFormula | C21H17N3O4 |
| Smiles | O=C(C(N/N=C\c(cc1)cc2c1OCCO2)=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C21H17N3O4/c25-20(23-17-7-3-5-15-4-1-2-6-16(15)17)21(26)24-22-13-14-8-9-18-19(12-14)28-11-10-27-18/h1-9,12-13H,10-11H2,(H,23,25)(H,24,26) |
| InChIK | DZGXERSFTMCXLW-UHFFFAOYSA-N |
| TotalMolweight | 375.383 |
| Molweight | 375.383 |
| MonoisotopicMass | 375.121907 |
| CLogP | 3.3171 |
| CLogS | -5.313 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 284.82 |
| Relative PSA | 0.28267 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | -3.4964 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-naphthalen-1-yloxamide | 2 - N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-naphthalen-1-yloxamide
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