2-anilino-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide
Formula:C22H19N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-anilino-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-anilino-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide |
| MolecularFormula | C22H19N3O2 |
| Smiles | C#CCOc1c(/C=N\NC(CNc2ccccc2)=O)c2ccccc2cc1 |
| InChI | InChI=1S/C22H19N3O2/c1-2-14-27-21-13-12-17-8-6-7-11-19(17)20(21)15-24-25-22(26)16-23-18-9-4-3-5-10-18/h1,3-13,15,23H,14,16H2,(H,25,26) |
| InChIK | XDJYOVJEIKRLRQ-UHFFFAOYSA-N |
| TotalMolweight | 357.412 |
| Molweight | 357.412 |
| MonoisotopicMass | 357.147727 |
| CLogP | 3.6451 |
| CLogS | -5.791 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 294.38 |
| Relative PSA | 0.19522 |
| PolarSurfaceArea | 62.72 |
| Druglikeness | 4.691 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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