N'-[(Z)-naphthalen-1-ylmethylideneamino]-N-(3,4,5-trichlorophenyl)oxamide
Formula:C19H12N3O2Cl3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:low
N'-[(Z)-naphthalen-1-ylmethylideneamino]-N-(3,4,5-trichlorophenyl)oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-naphthalen-1-ylmethylideneamino]-N-(3,4,5-trichlorophenyl)oxamide |
| MolecularFormula | C19H12N3O2Cl3 |
| Smiles | O=C(C(N/N=C\c1cccc2ccccc12)=O)Nc(cc1Cl)cc(Cl)c1Cl |
| InChI | InChI=1S/C19H12Cl3N3O2/c20-15-8-13(9-16(21)17(15)22)24-18(26)19(27)25-23-10-12-6-3-5-11-4-1-2-7-14(11)12/h1-10H,(H,24,26)(H,25,27) |
| InChIK | XDCPLVIROCCWLT-UHFFFAOYSA-N |
| TotalMolweight | 420.682 |
| Molweight | 420.682 |
| MonoisotopicMass | 418.999508 |
| CLogP | 5.1563 |
| CLogS | -7.339 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 297.06 |
| Relative PSA | 0.2037 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.76 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide; polyhalo aromatic ring |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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