2-(4-bromonaphthalen-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Formula:C23H17N2OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-(4-bromonaphthalen-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-bromonaphthalen-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide |
| MolecularFormula | C23H17N2OBr |
| Smiles | O=C(Cc(c1ccccc11)ccc1Br)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C23H17BrN2O/c24-22-13-12-17(20-10-3-4-11-21(20)22)14-23(27)26-25-15-18-8-5-7-16-6-1-2-9-19(16)18/h1-13,15H,14H2,(H,26,27) |
| InChIK | VRYZGLICGABPFX-UHFFFAOYSA-N |
| TotalMolweight | 417.305 |
| Molweight | 417.305 |
| MonoisotopicMass | 416.052424 |
| CLogP | 6.3137 |
| CLogS | -7.732 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 288.58 |
| Relative PSA | 0.12478 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.5805 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| StereoCon |
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