[2,4-dibromo-6-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate
Formula:C20H12N3O3Br2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2,4-dibromo-6-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate is not a drug-like molecule.
| MolName | [2,4-dibromo-6-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate |
| MolecularFormula | C20H12N3O3Br2F |
| Smiles | O=C(c1cnccc1)N/N=C\c1cc(Br)cc(Br)c1OC(c1cc(F)ccc1)=O |
| InChI | InChI=1S/C20H12Br2FN3O3/c21-15-7-14(11-25-26-19(27)13-4-2-6-24-10-13)18(17(22)9-15)29-20(28)12-3-1-5-16(23)8-12/h1-11H,(H,26,27) |
| InChIK | WISWWPIMCFETHA-UHFFFAOYSA-N |
| TotalMolweight | 521.139 |
| Molweight | 521.139 |
| MonoisotopicMass | 518.922942 |
| CLogP | 5.1824 |
| CLogS | -6.378 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 316.87 |
| Relative PSA | 0.22097 |
| PolarSurfaceArea | 80.65 |
| Druglikeness | 0.86759 |
| 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 | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [2,4-dibromo-6-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate | 2 - [2,4-dibromo-6-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate
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