N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-8-amine
Formula:C14H10N4O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-8-amine is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-8-amine |
| MolecularFormula | C14H10N4O3 |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2cccc3cccnc23)o1)=O |
| InChI | InChI=1S/C14H10N4O3/c19-18(20)13-7-6-11(21-13)9-16-17-12-5-1-3-10-4-2-8-15-14(10)12/h1-9,17H |
| InChIK | MMNLTANBOBWTAJ-UHFFFAOYSA-N |
| TotalMolweight | 282.258 |
| Molweight | 282.258 |
| MonoisotopicMass | 282.075291 |
| CLogP | 3.7754 |
| CLogS | -4.522 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 215.96 |
| Relative PSA | 0.36335 |
| PolarSurfaceArea | 96.24 |
| Druglikeness | 0.98271 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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