N-[(Z)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide
Formula:C21H18N4O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide |
| MolecularFormula | C21H18N4O3 |
| Smiles | [O-][N+](c1c(/C=N\NC(c2c(CCCC3)c3nc3ccccc23)=O)cccc1)=O |
| InChI | InChI=1S/C21H18N4O3/c26-21(24-22-13-14-7-1-6-12-19(14)25(27)28)20-15-8-2-4-10-17(15)23-18-11-5-3-9-16(18)20/h1-2,4,6-8,10,12-13H,3,5,9,11H2,(H,24,26) |
| InChIK | OLKBYXQLCXPNNT-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 | 0.46429 |
| 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 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide | 2 - N-[(Z)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide
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