N-[(Z)-(4-prop-2-ynoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
Formula:C23H16N2O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(4-prop-2-ynoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-prop-2-ynoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide |
| MolecularFormula | C23H16N2O3 |
| Smiles | C#CCOc1ccc(/C=N\NC(c2cc(c3ccccc3cc3)c3o2)=O)cc1 |
| InChI | InChI=1S/C23H16N2O3/c1-2-13-27-18-10-7-16(8-11-18)15-24-25-23(26)22-14-20-19-6-4-3-5-17(19)9-12-21(20)28-22/h1,3-12,14-15H,13H2,(H,25,26) |
| InChIK | CESUJLHNMZMWHA-UHFFFAOYSA-N |
| TotalMolweight | 368.391 |
| Molweight | 368.391 |
| MonoisotopicMass | 368.116093 |
| CLogP | 4.8588 |
| CLogS | -7.152 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 293.45 |
| Relative PSA | 0.20487 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 4.515 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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