N-[(Z)-benzylideneamino]-2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]acetamide
Formula:C30H22N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]acetamide |
| MolecularFormula | C30H22N3O2Cl |
| Smiles | O=C(COc(cc1)ccc1-c1cc(-c2ccccc2)c(cc(cc2)Cl)c2n1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C30H22ClN3O2/c31-24-13-16-28-27(17-24)26(22-9-5-2-6-10-22)18-29(33-28)23-11-14-25(15-12-23)36-20-30(35)34-32-19-21-7-3-1-4-8-21/h1-19H,20H2,(H,34,35) |
| InChIK | JEPMYOAPAQIEDI-UHFFFAOYSA-N |
| TotalMolweight | 491.977 |
| Molweight | 491.977 |
| MonoisotopicMass | 491.140054 |
| CLogP | 7.1079 |
| CLogS | -8.807 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 379.05 |
| Relative PSA | 0.15032 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.2278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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