| MolName | [4-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C26H19N2O4Br |
| Smiles | O=C(Cc(c1ccccc11)ccc1Br)N/N=C\c(cc1)ccc1OC(/C=C/c1ccco1)=O |
| InChI | InChI=1S/C26H19BrN2O4/c27-24-13-9-19(22-5-1-2-6-23(22)24)16-25(30)29-28-17-18-7-10-21(11-8-18)33-26(31)14-12-20-4-3-15-32-20/h1-15,17H,16H2,(H,29,30) |
| InChIK | HBWOTBQUOKOPHI-UHFFFAOYSA-N |
| TotalMolweight | 503.351 |
| Molweight | 503.351 |
| MonoisotopicMass | 502.052819 |
| CLogP | 6.0677 |
| CLogS | -7.648 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 357.68 |
| Relative PSA | 0.20454 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | 0.12307 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate | 2 - [4-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate