[3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
Formula:C20H13N3O3Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
[3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate is a drug-like molecule.
| MolName | [3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C20H13N3O3Cl2 |
| Smiles | O=C(c1ccncc1)N/N=C\c1cccc(OC(c(ccc(Cl)c2)c2Cl)=O)c1 |
| InChI | InChI=1S/C20H13Cl2N3O3/c21-15-4-5-17(18(22)11-15)20(27)28-16-3-1-2-13(10-16)12-24-25-19(26)14-6-8-23-9-7-14/h1-12H,(H,25,26) |
| InChIK | CKRXVGYZXOTULE-UHFFFAOYSA-N |
| TotalMolweight | 414.247 |
| Molweight | 414.247 |
| MonoisotopicMass | 413.033396 |
| CLogP | 4.8432 |
| CLogS | -5.868 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 304.1 |
| Relative PSA | 0.23025 |
| PolarSurfaceArea | 80.65 |
| Druglikeness | 4.0416 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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