| MolName | 2-(1-bromonaphthalen-2-yl)oxy-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]acetamide |
| MolecularFormula | C29H23N2O2Br |
| Smiles | O=C(COc(ccc1ccccc11)c1Br)NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1 |
| InChI | InChI=1S/C29H23BrN2O2/c30-29-26-14-8-7-13-24(26)17-20-27(29)34-21-28(33)32-31-25(18-15-22-9-3-1-4-10-22)19-16-23-11-5-2-6-12-23/h1-20H,21H2,(H,32,33) |
| InChIK | KWVVOQNULNJADZ-UHFFFAOYSA-N |
| TotalMolweight | 511.418 |
| Molweight | 511.418 |
| MonoisotopicMass | 510.094289 |
| CLogP | 7.0278 |
| CLogS | -7.987 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 374.95 |
| Relative PSA | 0.12271 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 1.4721 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| StereoCon |
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1 - 2-(1-bromonaphthalen-2-yl)oxy-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]acetamide | 2 - 2-(1-bromonaphthalen-2-yl)oxy-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]acetamide