N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-morpholin-4-ium-4-ylacetamide
Formula:C14H18N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-morpholin-4-ium-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-morpholin-4-ium-4-ylacetamide |
| MolecularFormula | C14H18N3O4 |
| Smiles | O=C(C[NH+]1CCOCC1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C14H17N3O4/c18-14(9-17-3-5-19-6-4-17)16-15-8-11-1-2-12-13(7-11)21-10-20-12/h1-2,7-8H,3-6,9-10H2,(H,16,18)/p+1 |
| InChIK | LDKDBHQAHLOQDC-UHFFFAOYSA-O |
| TotalMolweight | 292.314 |
| Molweight | 292.314 |
| MonoisotopicMass | 292.129732 |
| CLogP | -0.978 |
| CLogS | -2.452 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 237.13 |
| Relative PSA | 0.35255 |
| PolarSurfaceArea | 73.59 |
| Druglikeness | 2.0471 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-morpholin-4-ium-4-ylacetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-morpholin-4-ium-4-ylacetamide
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