[2,4-dibromo-6-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C19H10N2O4Br2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2,4-dibromo-6-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.
| MolName | [2,4-dibromo-6-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C19H10N2O4Br2Cl2 |
| Smiles | O=C(c1ccco1)Oc(c(/C=N\NC(c(ccc(Cl)c1)c1Cl)=O)cc(Br)c1)c1Br |
| InChI | InChI=1S/C19H10Br2Cl2N2O4/c20-11-6-10(9-24-25-18(26)13-4-3-12(22)8-15(13)23)17(14(21)7-11)29-19(27)16-2-1-5-28-16/h1-9H,(H,25,26) |
| InChIK | HIZDKUFJJHVEGI-UHFFFAOYSA-N |
| TotalMolweight | 561.012 |
| Molweight | 561.012 |
| MonoisotopicMass | 557.838434 |
| CLogP | 6.4832 |
| CLogS | -8.013 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 332.29 |
| Relative PSA | 0.22017 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | 2.4751 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - [2,4-dibromo-6-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate | 2 - [2,4-dibromo-6-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
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