4-bromo-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
Formula:C18H13N2OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-bromo-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide |
| MolecularFormula | C18H13N2OBr |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C18H13BrN2O/c19-16-10-8-14(9-11-16)18(22)21-20-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12H,(H,21,22) |
| InChIK | YKHQHSBGQLCIKM-UHFFFAOYSA-N |
| TotalMolweight | 353.218 |
| Molweight | 353.218 |
| MonoisotopicMass | 352.021124 |
| CLogP | 5.1212 |
| CLogS | -6.161 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 240.22 |
| Relative PSA | 0.1499 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.6787 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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