2-anilino-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide
Formula:C17H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-anilino-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-anilino-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide |
| MolecularFormula | C17H17N3O3 |
| Smiles | O=C(CNc1ccccc1)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C17H17N3O3/c21-17(12-18-14-4-2-1-3-5-14)20-19-11-13-6-7-15-16(10-13)23-9-8-22-15/h1-7,10-11,18H,8-9,12H2,(H,20,21) |
| InChIK | VOOQHYHDUANLDB-UHFFFAOYSA-N |
| TotalMolweight | 311.34 |
| Molweight | 311.34 |
| MonoisotopicMass | 311.126992 |
| CLogP | 2.4723 |
| CLogS | -3.725 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 246.23 |
| Relative PSA | 0.27401 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | -2.214 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-anilino-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide | 2 - 2-anilino-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide
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