N-[(Z)-(3-bromo-4-prop-2-ynoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
Formula:C23H15N2O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-bromo-4-prop-2-ynoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromo-4-prop-2-ynoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide |
| MolecularFormula | C23H15N2O3Br |
| Smiles | C#CCOc(ccc(/C=N\NC(c1cc(c2ccccc2cc2)c2o1)=O)c1)c1Br |
| InChI | InChI=1S/C23H15BrN2O3/c1-2-11-28-21-9-7-15(12-19(21)24)14-25-26-23(27)22-13-18-17-6-4-3-5-16(17)8-10-20(18)29-22/h1,3-10,12-14H,11H2,(H,26,27) |
| InChIK | LEQXVGRVLXHLBD-UHFFFAOYSA-N |
| TotalMolweight | 447.287 |
| Molweight | 447.287 |
| MonoisotopicMass | 446.026604 |
| CLogP | 5.584 |
| CLogS | -7.986 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 312.08 |
| Relative PSA | 0.19264 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 2.725 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| 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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