[1-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Formula:C25H16N2O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate |
| MolecularFormula | C25H16N2O3Cl2 |
| Smiles | O=C(c(cc1)ccc1Cl)N/N=C\c(c1ccccc1cc1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C25H16Cl2N2O3/c26-19-10-5-17(6-11-19)24(30)29-28-15-22-21-4-2-1-3-16(21)9-14-23(22)32-25(31)18-7-12-20(27)13-8-18/h1-15H,(H,29,30) |
| InChIK | BXBIMBOCLMWPAO-UHFFFAOYSA-N |
| TotalMolweight | 463.319 |
| Molweight | 463.319 |
| MonoisotopicMass | 462.053797 |
| CLogP | 7.0385 |
| CLogS | -8.269 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 339.94 |
| Relative PSA | 0.17371 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.0416 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [1-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate | 2 - [1-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off