N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C19H14N2OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C19H14N2OCl2 |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C19H14Cl2N2O/c20-16-9-8-15(18(21)11-16)12-22-23-19(24)10-14-6-3-5-13-4-1-2-7-17(13)14/h1-9,11-12H,10H2,(H,23,24) |
| InChIK | KJDZLRFTMYIZNI-UHFFFAOYSA-N |
| TotalMolweight | 357.239 |
| Molweight | 357.239 |
| MonoisotopicMass | 356.048317 |
| CLogP | 5.6061 |
| CLogS | -6.764 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 266.19 |
| Relative PSA | 0.13528 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.3905 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| StereoCon |
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