N-[(Z)-[4-(2-chloro-4-nitrophenoxy)phenyl]methylideneamino]quinoline-2-carboxamide
Formula:C23H15N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-chloro-4-nitrophenoxy)phenyl]methylideneamino]quinoline-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-chloro-4-nitrophenoxy)phenyl]methylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C23H15N4O4Cl |
| Smiles | [O-][N+](c(cc1)cc(Cl)c1Oc1ccc(/C=N\NC(c2nc3ccccc3cc2)=O)cc1)=O |
| InChI | InChI=1S/C23H15ClN4O4/c24-19-13-17(28(30)31)8-12-22(19)32-18-9-5-15(6-10-18)14-25-27-23(29)21-11-7-16-3-1-2-4-20(16)26-21/h1-14H,(H,27,29) |
| InChIK | LZFBXKVGMAKAMV-UHFFFAOYSA-N |
| TotalMolweight | 446.849 |
| Molweight | 446.849 |
| MonoisotopicMass | 446.078183 |
| CLogP | 4.6516 |
| CLogS | -7.944 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 329.2 |
| Relative PSA | 0.26549 |
| PolarSurfaceArea | 109.4 |
| Druglikeness | -0.8274 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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