4-(morpholin-4-ium-4-ylmethyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
Formula:C18H21N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(morpholin-4-ium-4-ylmethyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(morpholin-4-ium-4-ylmethyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide |
| MolecularFormula | C18H21N4O2 |
| Smiles | O=C(c1ccc(C[NH+]2CCOCC2)cc1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C18H20N4O2/c23-18(21-20-13-15-5-7-19-8-6-15)17-3-1-16(2-4-17)14-22-9-11-24-12-10-22/h1-8,13H,9-12,14H2,(H,21,23)/p+1 |
| InChIK | PTWLTMDQIAUCPD-UHFFFAOYSA-O |
| TotalMolweight | 325.391 |
| Molweight | 325.391 |
| MonoisotopicMass | 325.166451 |
| CLogP | -0.3171 |
| CLogS | -2.507 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 275.39 |
| Relative PSA | 0.27078 |
| PolarSurfaceArea | 68.02 |
| Druglikeness | 2.0943 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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