[2,4-dibromo-6-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
Formula:C20H11N3O3Br3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2,4-dibromo-6-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate is not a drug-like molecule.
| MolName | [2,4-dibromo-6-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate |
| MolecularFormula | C20H11N3O3Br3F |
| Smiles | O=C(c1cncc(Br)c1)N/N=C\c1cc(Br)cc(Br)c1OC(c1cc(F)ccc1)=O |
| InChI | InChI=1S/C20H11Br3FN3O3/c21-14-4-12(9-26-27-19(28)13-5-15(22)10-25-8-13)18(17(23)7-14)30-20(29)11-2-1-3-16(24)6-11/h1-10H,(H,27,28) |
| InChIK | HKOXHTPPXZJXHK-UHFFFAOYSA-N |
| TotalMolweight | 600.035 |
| Molweight | 600.035 |
| MonoisotopicMass | 596.833453 |
| CLogP | 5.9076 |
| CLogS | -7.212 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 335.5 |
| Relative PSA | 0.2087 |
| 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 | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate | 2 - [2,4-dibromo-6-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
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