N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-morpholin-4-ium-4-ylpropanamide
Formula:C16H22N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-morpholin-4-ium-4-ylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-morpholin-4-ium-4-ylpropanamide |
| MolecularFormula | C16H22N3O4 |
| Smiles | O=C(CC[NH+]1CCOCC1)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C16H21N3O4/c20-16(3-4-19-5-7-21-8-6-19)18-17-12-13-1-2-14-15(11-13)23-10-9-22-14/h1-2,11-12H,3-10H2,(H,18,20)/p+1 |
| InChIK | OKAMWCQWGWEUNA-UHFFFAOYSA-O |
| TotalMolweight | 320.368 |
| Molweight | 320.368 |
| MonoisotopicMass | 320.161032 |
| CLogP | -0.6562 |
| CLogS | -2.193 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 264.65 |
| Relative PSA | 0.31589 |
| PolarSurfaceArea | 73.59 |
| Druglikeness | -4.7588 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-morpholin-4-ium-4-ylpropanamide | 2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-morpholin-4-ium-4-ylpropanamide
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