[4-bromo-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C22H17N2O4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C22H17N2O4Br |
| Smiles | O=C(Cc1ccccc1)N/N=C\c(cc(cc1)Br)c1OC(/C=C/c1ccco1)=O |
| InChI | InChI=1S/C22H17BrN2O4/c23-18-8-10-20(29-22(27)11-9-19-7-4-12-28-19)17(14-18)15-24-25-21(26)13-16-5-2-1-3-6-16/h1-12,14-15H,13H2,(H,25,26) |
| InChIK | WWYLOMSANAEAHC-UHFFFAOYSA-N |
| TotalMolweight | 453.291 |
| Molweight | 453.291 |
| MonoisotopicMass | 452.037169 |
| CLogP | 4.8733 |
| CLogS | -6.042 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 323.08 |
| Relative PSA | 0.22645 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | 0.12307 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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