N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
Formula:C19H14N3O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide is a drug-like molecule.
| MolName | N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide |
| MolecularFormula | C19H14N3O2Cl |
| Smiles | O=C(C(N/N=C\c(cccc1)c1Cl)=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C19H14ClN3O2/c20-16-10-4-2-7-14(16)12-21-23-19(25)18(24)22-17-11-5-8-13-6-1-3-9-15(13)17/h1-12H,(H,22,24)(H,23,25) |
| InChIK | BFBZELQDXJDHRZ-UHFFFAOYSA-N |
| TotalMolweight | 351.792 |
| Molweight | 351.792 |
| MonoisotopicMass | 351.077454 |
| CLogP | 3.9443 |
| CLogS | -5.867 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 266.22 |
| Relative PSA | 0.22729 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.76 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amides | 1 |
| StereoCon |
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