N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C17H14N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C17H14N2O5 |
| Smiles | O=C(C1Oc(cccc2)c2OC1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C17H14N2O5/c20-17(16-9-21-12-3-1-2-4-14(12)24-16)19-18-8-11-5-6-13-15(7-11)23-10-22-13/h1-8,16H,9-10H2,(H,19,20)/t16-/m0/s1 |
| InChIK | VISGKRUDNQXYME-INIZCTEOSA-N |
| TotalMolweight | 326.307 |
| Molweight | 326.307 |
| MonoisotopicMass | 326.090273 |
| CLogP | 2.8551 |
| CLogS | -4.454 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 240.01 |
| Relative PSA | 0.3167 |
| PolarSurfaceArea | 78.38 |
| Druglikeness | 4.878 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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