2-(3-chlorophenoxy)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide
Formula:C19H15N2O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-(3-chlorophenoxy)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-chlorophenoxy)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide |
| MolecularFormula | C19H15N2O2Cl |
| Smiles | O=C(COc1cccc(Cl)c1)N/N=C/c1cccc2ccccc12 |
| InChI | InChI=1S/C19H15ClN2O2/c20-16-8-4-9-17(11-16)24-13-19(23)22-21-12-15-7-3-6-14-5-1-2-10-18(14)15/h1-12H,13H2,(H,22,23) |
| InChIK | ROUPLPZRKUQIMG-UHFFFAOYSA-N |
| TotalMolweight | 338.793 |
| Molweight | 338.793 |
| MonoisotopicMass | 338.082205 |
| CLogP | 4.5769 |
| CLogS | -5.843 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 260.77 |
| Relative PSA | 0.17644 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.2278 |
| 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 | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| StereoCon |
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