N'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
Formula:C19H13N3O2ClF
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide is a drug-like molecule.
| MolName | N'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide |
| MolecularFormula | C19H13N3O2ClF |
| Smiles | O=C(C(N/N=C/c(c(F)ccc1)c1Cl)=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C19H13ClFN3O2/c20-15-8-4-9-16(21)14(15)11-22-24-19(26)18(25)23-17-10-3-6-12-5-1-2-7-13(12)17/h1-11H,(H,23,25)(H,24,26) |
| InChIK | PWEOSPIKIOZCPS-UHFFFAOYSA-N |
| TotalMolweight | 369.782 |
| Molweight | 369.782 |
| MonoisotopicMass | 369.068032 |
| CLogP | 4.0451 |
| CLogS | -6.181 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 272.57 |
| Relative PSA | 0.222 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 2.42 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.57692 |
| 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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