[1-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Formula:C26H16N3O4Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[1-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate |
| MolecularFormula | C26H16N3O4Cl3 |
| Smiles | O=C(C(N/N=C\c(c1ccccc1cc1)c1OC(c(cc1)ccc1Cl)=O)=O)Nc(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C26H16Cl3N3O4/c27-17-8-5-16(6-9-17)26(35)36-23-12-7-15-3-1-2-4-19(15)20(23)14-30-32-25(34)24(33)31-22-13-18(28)10-11-21(22)29/h1-14H,(H,31,33)(H,32,34) |
| InChIK | GWYICSJCETYJQU-UHFFFAOYSA-N |
| TotalMolweight | 540.789 |
| Molweight | 540.789 |
| MonoisotopicMass | 539.020638 |
| CLogP | 6.5868 |
| CLogS | -8.809 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 384.57 |
| Relative PSA | 0.21726 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 3.4163 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [1-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate | 2 - [1-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
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