N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C19H14N2O2Br2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C19H14N2O2Br2 |
| Smiles | Oc(cc(/C=N\NC(Cc1cccc2ccccc12)=O)c(Br)c1)c1Br |
| InChI | InChI=1S/C19H14Br2N2O2/c20-16-10-17(21)18(24)8-14(16)11-22-23-19(25)9-13-6-3-5-12-4-1-2-7-15(12)13/h1-8,10-11,24H,9H2,(H,23,25) |
| InChIK | OCITYEWFEQLUAX-UHFFFAOYSA-N |
| TotalMolweight | 462.14 |
| Molweight | 462.14 |
| MonoisotopicMass | 459.9422 |
| CLogP | 5.4988 |
| CLogS | -6.664 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 278.96 |
| Relative PSA | 0.17605 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 2.5525 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| StereoCon |
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