[1-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Formula:C24H15N3O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate |
| MolecularFormula | C24H15N3O3Cl2 |
| Smiles | O=C(c1cnccc1)N/N=C\c(c1ccccc1cc1)c1OC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C24H15Cl2N3O3/c25-17-8-9-19(21(26)12-17)24(31)32-22-10-7-15-4-1-2-6-18(15)20(22)14-28-29-23(30)16-5-3-11-27-13-16/h1-14H,(H,29,30) |
| InChIK | ZWKDZBISTVWIDF-UHFFFAOYSA-N |
| TotalMolweight | 464.307 |
| Molweight | 464.307 |
| MonoisotopicMass | 463.049046 |
| CLogP | 6.0376 |
| CLogS | -7.474 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 338.7 |
| Relative PSA | 0.20673 |
| PolarSurfaceArea | 80.65 |
| Druglikeness | 4.0416 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [1-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate | 2 - [1-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off