[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate
Formula:C19H12N2O4Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate |
| MolecularFormula | C19H12N2O4Br2 |
| Smiles | O=C(c(o1)ccc1Br)N/N=C\c(cc1)ccc1OC(c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C19H12Br2N2O4/c20-14-5-3-13(4-6-14)19(25)26-15-7-1-12(2-8-15)11-22-23-18(24)16-9-10-17(21)27-16/h1-11H,(H,23,24) |
| InChIK | XVUODKMGLQXTBF-UHFFFAOYSA-N |
| TotalMolweight | 492.122 |
| Molweight | 492.122 |
| MonoisotopicMass | 489.91638 |
| CLogP | 5.3686 |
| CLogS | -6.304 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 301.45 |
| Relative PSA | 0.24269 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | 2.0498 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate | 2 - [4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate
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