[4-bromo-2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate
Formula:C20H14N3O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[4-bromo-2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate |
| MolecularFormula | C20H14N3O3Br |
| Smiles | O=C(c1ccncc1)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C20H14BrN3O3/c21-17-6-7-18(27-20(26)15-4-2-1-3-5-15)16(12-17)13-23-24-19(25)14-8-10-22-11-9-14/h1-13H,(H,24,25) |
| InChIK | QSVGQUDTRBAKKI-UHFFFAOYSA-N |
| TotalMolweight | 424.253 |
| Molweight | 424.253 |
| MonoisotopicMass | 423.021853 |
| CLogP | 4.3564 |
| CLogS | -5.23 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 291.89 |
| Relative PSA | 0.23988 |
| PolarSurfaceArea | 80.65 |
| Druglikeness | 2.2076 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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