| MolName | (E)-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-phenylprop-2-enehydrazide |
| MolecularFormula | C21H16N2O3Br2 |
| Smiles | O=C(COc(ccc1cc(Br)ccc11)c1Br)NNC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C21H16Br2N2O3/c22-16-8-9-17-15(12-16)7-10-18(21(17)23)28-13-20(27)25-24-19(26)11-6-14-4-2-1-3-5-14/h1-12H,13H2,(H,24,26)(H,25,27) |
| InChIK | XFUJRMLLGNMZOQ-UHFFFAOYSA-N |
| TotalMolweight | 504.177 |
| Molweight | 504.177 |
| MonoisotopicMass | 501.952765 |
| CLogP | 4.1665 |
| CLogS | -6.734 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 313.56 |
| Relative PSA | 0.18816 |
| PolarSurfaceArea | 67.43 |
| Druglikeness | -1.2524 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-phenylprop-2-enehydrazide | 2 - (E)-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-phenylprop-2-enehydrazide