N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-nitrobenzamide
Formula:C18H18N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C18H18N4O4 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c(cc1)ccc1N1CCOCC1)=O)=O |
| InChI | InChI=1S/C18H18N4O4/c23-18(15-3-7-17(8-4-15)22(24)25)20-19-13-14-1-5-16(6-2-14)21-9-11-26-12-10-21/h1-8,13H,9-12H2,(H,20,23) |
| InChIK | BITZTSLABLGQFX-UHFFFAOYSA-N |
| TotalMolweight | 354.365 |
| Molweight | 354.365 |
| MonoisotopicMass | 354.132806 |
| CLogP | 1.949 |
| CLogS | -4.284 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 272.5 |
| Relative PSA | 0.2935 |
| PolarSurfaceArea | 99.75 |
| Druglikeness | 0.014355 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-nitrobenzamide | 2 - N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-nitrobenzamide
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