[1-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate
Formula:C24H16N3O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate |
| MolecularFormula | C24H16N3O3Cl |
| Smiles | O=C(c1cnccc1)N/N=C\c(c1ccccc1cc1)c1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C24H16ClN3O3/c25-21-10-4-3-9-19(21)24(30)31-22-12-11-16-6-1-2-8-18(16)20(22)15-27-28-23(29)17-7-5-13-26-14-17/h1-15H,(H,28,29) |
| InChIK | XNJXDJHLYZMHTA-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 | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| 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 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [1-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate | 2 - [1-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate
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