4-(morpholin-4-ylmethyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
Formula:C19H20N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(morpholin-4-ylmethyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(morpholin-4-ylmethyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C19H20N4O4 |
| Smiles | [O-][N+](c1c(/C=N\NC(c2ccc(CN3CCOCC3)cc2)=O)cccc1)=O |
| InChI | InChI=1S/C19H20N4O4/c24-19(21-20-13-17-3-1-2-4-18(17)23(25)26)16-7-5-15(6-8-16)14-22-9-11-27-12-10-22/h1-8,13H,9-12,14H2,(H,21,24) |
| InChIK | AUPQOQWMNWCHGY-UHFFFAOYSA-N |
| TotalMolweight | 368.392 |
| Molweight | 368.392 |
| MonoisotopicMass | 368.148456 |
| CLogP | 0.9454 |
| CLogS | -3.762 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 286.26 |
| Relative PSA | 0.2794 |
| PolarSurfaceArea | 99.75 |
| Druglikeness | 0.21937 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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