N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide
Formula:C19H13N3O2Cl2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide is a drug-like molecule.
| MolName | N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide |
| MolecularFormula | C19H13N3O2Cl2 |
| Smiles | O=C(C(N/N=C\c(cc1)cc(Cl)c1Cl)=O)Nc1cc2ccccc2cc1 |
| InChI | InChI=1S/C19H13Cl2N3O2/c20-16-8-5-12(9-17(16)21)11-22-24-19(26)18(25)23-15-7-6-13-3-1-2-4-14(13)10-15/h1-11H,(H,23,25)(H,24,26) |
| InChIK | VJQNSNCCRSMNDQ-UHFFFAOYSA-N |
| TotalMolweight | 386.237 |
| Molweight | 386.237 |
| MonoisotopicMass | 385.038481 |
| CLogP | 4.5503 |
| CLogS | -6.603 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 281.64 |
| Relative PSA | 0.21485 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.76 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide | 2 - N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide
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