N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
Formula:C27H18N2O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide |
| MolecularFormula | C27H18N2O3 |
| Smiles | C#CCOc1c(/C=N\NC(c2cc(c3ccccc3cc3)c3o2)=O)c2ccccc2cc1 |
| InChI | InChI=1S/C27H18N2O3/c1-2-15-31-24-13-11-19-8-4-6-10-21(19)23(24)17-28-29-27(30)26-16-22-20-9-5-3-7-18(20)12-14-25(22)32-26/h1,3-14,16-17H,15H2,(H,29,30) |
| InChIK | XHEQMCDXZNRROB-UHFFFAOYSA-N |
| TotalMolweight | 418.451 |
| Molweight | 418.451 |
| MonoisotopicMass | 418.131743 |
| CLogP | 6.0532 |
| CLogS | -8.758 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 328.05 |
| Relative PSA | 0.18326 |
| 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 | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| StereoCon |
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