N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
Formula:C17H13N2O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide |
| MolecularFormula | C17H13N2O3Br |
| Smiles | O=C(COc1cc2ccccc2cc1)N/N=C\c(o1)ccc1Br |
| InChI | InChI=1S/C17H13BrN2O3/c18-16-8-7-15(23-16)10-19-20-17(21)11-22-14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11H2,(H,20,21) |
| InChIK | RWWQYHYDLYERAR-UHFFFAOYSA-N |
| TotalMolweight | 373.205 |
| Molweight | 373.205 |
| MonoisotopicMass | 372.010954 |
| CLogP | 3.9822 |
| CLogS | -5.386 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 253.67 |
| Relative PSA | 0.237 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 3.1003 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| StereoCon |
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