2-morpholin-4-ium-4-yl-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Formula:C17H20N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-morpholin-4-ium-4-yl-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-morpholin-4-ium-4-yl-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide |
| MolecularFormula | C17H20N3O2 |
| Smiles | O=C(C[NH+]1CCOCC1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C17H19N3O2/c21-17(13-20-8-10-22-11-9-20)19-18-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H,19,21)/p+1 |
| InChIK | RAMCIAMKCIOPKA-UHFFFAOYSA-O |
| TotalMolweight | 298.365 |
| Molweight | 298.365 |
| MonoisotopicMass | 298.155552 |
| CLogP | 0.105 |
| CLogS | -3.347 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 251.47 |
| Relative PSA | 0.25291 |
| PolarSurfaceArea | 55.13 |
| Druglikeness | 2.0943 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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