N-[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
Formula:C22H15N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide |
| MolecularFormula | C22H15N3O3 |
| Smiles | N#CCOc1c(/C=N\NC(c2cc(c3ccccc3cc3)c3o2)=O)cccc1 |
| InChI | InChI=1S/C22H15N3O3/c23-11-12-27-19-8-4-2-6-16(19)14-24-25-22(26)21-13-18-17-7-3-1-5-15(17)9-10-20(18)28-21/h1-10,13-14H,12H2,(H,25,26) |
| InChIK | DVNBONTXQUVBEW-UHFFFAOYSA-N |
| TotalMolweight | 369.379 |
| Molweight | 369.379 |
| MonoisotopicMass | 369.111342 |
| CLogP | 4.4835 |
| CLogS | -6.976 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 291.35 |
| Relative PSA | 0.25289 |
| PolarSurfaceArea | 87.62 |
| Druglikeness | 0.19669 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| StereoCon |
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