N-[(Z)-(4-nitrophenyl)methylideneamino]acridin-9-amine
Formula:C20H14N4O2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]acridin-9-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]acridin-9-amine |
| MolecularFormula | C20H14N4O2 |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2c(cccc3)c3nc3ccccc23)cc1)=O |
| InChI | InChI=1S/C20H14N4O2/c25-24(26)15-11-9-14(10-12-15)13-21-23-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1-13H,(H,22,23) |
| InChIK | BGMYBAXIYCMLPJ-UHFFFAOYSA-N |
| TotalMolweight | 342.357 |
| Molweight | 342.357 |
| MonoisotopicMass | 342.111676 |
| CLogP | 5.3818 |
| CLogS | -5.816 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 260.87 |
| Relative PSA | 0.24671 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -3.1321 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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