N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide
Formula:C22H16N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide |
| MolecularFormula | C22H16N2O2 |
| Smiles | O=C(c1cc(c2ccccc2cc2)c2o1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C22H16N2O2/c25-22(24-23-14-6-9-16-7-2-1-3-8-16)21-15-19-18-11-5-4-10-17(18)12-13-20(19)26-21/h1-15H,(H,24,25) |
| InChIK | BYOYASAICAHUNR-UHFFFAOYSA-N |
| TotalMolweight | 340.381 |
| Molweight | 340.381 |
| MonoisotopicMass | 340.121178 |
| CLogP | 4.9199 |
| CLogS | -6.802 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 272.38 |
| Relative PSA | 0.18401 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 4.6961 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Symmetricatoms | 2 |
| StereoCon |
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