N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1-benzofuran-2-carboxamide
Formula:C16H12N2O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C16H12N2O3 |
| Smiles | O=C(c1cc(cccc2)c2o1)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C16H12N2O3/c19-16(15-11-12-5-1-2-8-14(12)21-15)18-17-9-3-6-13-7-4-10-20-13/h1-11H,(H,18,19) |
| InChIK | BGQGUIBMFAFIRN-UHFFFAOYSA-N |
| TotalMolweight | 280.282 |
| Molweight | 280.282 |
| MonoisotopicMass | 280.084793 |
| CLogP | 2.9142 |
| CLogS | -4.878 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 227.47 |
| Relative PSA | 0.28237 |
| PolarSurfaceArea | 67.74 |
| Druglikeness | 4.4025 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| StereoCon |
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