N-[(Z)-(3-nitrophenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
Formula:C24H18N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide |
| MolecularFormula | C24H18N4O4 |
| Smiles | [O-][N+](c1cc(/C=N\NC(c2ccc(COc3cccc4cccnc34)cc2)=O)ccc1)=O |
| InChI | InChI=1S/C24H18N4O4/c29-24(27-26-15-18-4-1-7-21(14-18)28(30)31)20-11-9-17(10-12-20)16-32-22-8-2-5-19-6-3-13-25-23(19)22/h1-15H,16H2,(H,27,29) |
| InChIK | JUVJHDOWZNVEBZ-UHFFFAOYSA-N |
| TotalMolweight | 426.431 |
| Molweight | 426.431 |
| MonoisotopicMass | 426.132806 |
| CLogP | 3.9441 |
| CLogS | -6.228 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 327.54 |
| Relative PSA | 0.26684 |
| PolarSurfaceArea | 109.4 |
| Druglikeness | -1.1157 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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