[4-bromo-2-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C19H11N2O4BrCl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C19H11N2O4BrCl2 |
| Smiles | O=C(c1ccco1)Oc(cc1)c(/C=N\NC(c(ccc(Cl)c2)c2Cl)=O)cc1Br |
| InChI | InChI=1S/C19H11BrCl2N2O4/c20-12-3-6-16(28-19(26)17-2-1-7-27-17)11(8-12)10-23-24-18(25)14-5-4-13(21)9-15(14)22/h1-10H,(H,24,25) |
| InChIK | SDXQGRSSFOYSAW-UHFFFAOYSA-N |
| TotalMolweight | 482.116 |
| Molweight | 482.116 |
| MonoisotopicMass | 479.927923 |
| CLogP | 5.758 |
| CLogS | -7.179 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 313.66 |
| Relative PSA | 0.23325 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | 2.4751 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - [4-bromo-2-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate | 2 - [4-bromo-2-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
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