N-[(Z)-pyridin-4-ylmethylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
Formula:C19H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-4-ylmethylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-4-ylmethylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide |
| MolecularFormula | C19H15N3O3 |
| Smiles | O=C(C1Oc2cc3ccccc3cc2OC1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C19H15N3O3/c23-19(22-21-11-13-5-7-20-8-6-13)18-12-24-16-9-14-3-1-2-4-15(14)10-17(16)25-18/h1-11,18H,12H2,(H,22,23)/t18-/m0/s1 |
| InChIK | PRHAVSQUVNCPPP-SFHVURJKSA-N |
| TotalMolweight | 333.346 |
| Molweight | 333.346 |
| MonoisotopicMass | 333.111342 |
| CLogP | 2.9372 |
| CLogS | -4.554 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 253.11 |
| Relative PSA | 0.26463 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 4.9206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - N-[(Z)-pyridin-4-ylmethylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide | 2 - N-[(Z)-pyridin-4-ylmethylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
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