2-naphthalen-1-yl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C26H22N2O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-naphthalen-1-yl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-naphthalen-1-yl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C26H22N2O2 |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C26H22N2O2/c29-26(17-23-13-7-12-22-11-4-5-15-25(22)23)28-27-18-21-10-6-14-24(16-21)30-19-20-8-2-1-3-9-20/h1-16,18H,17,19H2,(H,28,29) |
| InChIK | VWYMUCAHTBOERF-UHFFFAOYSA-N |
| TotalMolweight | 394.473 |
| Molweight | 394.473 |
| MonoisotopicMass | 394.168128 |
| CLogP | 5.7422 |
| CLogS | -6.633 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 318.87 |
| Relative PSA | 0.14429 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.0086 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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