[1-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate
Formula:C24H16N3O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[1-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate |
| MolecularFormula | C24H16N3O3Cl |
| Smiles | O=C(c1ccncc1)N/N=C\c(c1ccccc1cc1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C24H16ClN3O3/c25-19-8-5-18(6-9-19)24(30)31-22-10-7-16-3-1-2-4-20(16)21(22)15-27-28-23(29)17-11-13-26-14-12-17/h1-15H,(H,28,29) |
| InChIK | NCBFSQGZNCYCJI-UHFFFAOYSA-N |
| TotalMolweight | 429.862 |
| Molweight | 429.862 |
| MonoisotopicMass | 429.088019 |
| CLogP | 5.4316 |
| CLogS | -6.738 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 323.28 |
| Relative PSA | 0.21659 |
| PolarSurfaceArea | 80.65 |
| Druglikeness | 4.0416 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [1-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate | 2 - [1-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate
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