N-[(Z)-(4-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide
Formula:C21H18N4O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide |
| MolecularFormula | C21H18N4O3 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2c(CCCC3)c3nc3ccccc23)=O)cc1)=O |
| InChI | InChI=1S/C21H18N4O3/c26-21(24-22-13-14-9-11-15(12-10-14)25(27)28)20-16-5-1-3-7-18(16)23-19-8-4-2-6-17(19)20/h1,3,5,7,9-13H,2,4,6,8H2,(H,24,26) |
| InChIK | RVWYAFYVYPTMBS-UHFFFAOYSA-N |
| TotalMolweight | 374.399 |
| Molweight | 374.399 |
| MonoisotopicMass | 374.137891 |
| CLogP | 3.8068 |
| CLogS | -6.003 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 285.56 |
| Relative PSA | 0.27105 |
| PolarSurfaceArea | 100.17 |
| Druglikeness | -6.1341 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide | 2 - N-[(Z)-(4-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide
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