[2,4-dibromo-6-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C18H10N3O4Br3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2,4-dibromo-6-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.
| MolName | [2,4-dibromo-6-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C18H10N3O4Br3 |
| Smiles | O=C(c1ccco1)Oc(c(/C=N\NC(c1cncc(Br)c1)=O)cc(Br)c1)c1Br |
| InChI | InChI=1S/C18H10Br3N3O4/c19-12-4-10(8-23-24-17(25)11-5-13(20)9-22-7-11)16(14(21)6-12)28-18(26)15-2-1-3-27-15/h1-9H,(H,24,25) |
| InChIK | KQFWRXVEWPUQFY-UHFFFAOYSA-N |
| TotalMolweight | 572.006 |
| Molweight | 572.006 |
| MonoisotopicMass | 568.82214 |
| CLogP | 4.9955 |
| CLogS | -6.58 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 318.84 |
| Relative PSA | 0.26386 |
| PolarSurfaceArea | 93.79 |
| Druglikeness | 2.4127 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [2,4-dibromo-6-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate | 2 - [2,4-dibromo-6-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
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