N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinolin-8-amine
Formula:C20H14N4O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinolin-8-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinolin-8-amine |
| MolecularFormula | C20H14N4O3 |
| Smiles | [O-][N+](c1cc(-c2ccc(/C=N\Nc3cccc4cccnc34)o2)ccc1)=O |
| InChI | InChI=1S/C20H14N4O3/c25-24(26)16-7-1-5-15(12-16)19-10-9-17(27-19)13-22-23-18-8-2-4-14-6-3-11-21-20(14)18/h1-13,23H |
| InChIK | ADPYEMILCSOMDK-UHFFFAOYSA-N |
| TotalMolweight | 358.356 |
| Molweight | 358.356 |
| MonoisotopicMass | 358.106591 |
| CLogP | 5.1742 |
| CLogS | -5.775 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 275.72 |
| Relative PSA | 0.2846 |
| PolarSurfaceArea | 96.24 |
| Druglikeness | -0.77506 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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