N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-naphthalen-1-ylacetamide
Formula:C21H18N2O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-naphthalen-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C21H18N2O3 |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C21H18N2O3/c24-21(13-17-6-3-5-16-4-1-2-7-18(16)17)23-22-14-15-8-9-19-20(12-15)26-11-10-25-19/h1-9,12,14H,10-11,13H2,(H,23,24) |
| InChIK | LETRWPMCFYNPPQ-UHFFFAOYSA-N |
| TotalMolweight | 346.385 |
| Molweight | 346.385 |
| MonoisotopicMass | 346.131743 |
| CLogP | 4.3729 |
| CLogS | -5.474 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 269.37 |
| Relative PSA | 0.20793 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -2.8714 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| StereoCon |
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1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-naphthalen-1-ylacetamide | 2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-naphthalen-1-ylacetamide
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