N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
Formula:C17H11N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C17H11N3O3 |
| Smiles | N#Cc(cc1)ccc1-c1ccc(/C=N\NC(c2ccco2)=O)o1 |
| InChI | InChI=1S/C17H11N3O3/c18-10-12-3-5-13(6-4-12)15-8-7-14(23-15)11-19-20-17(21)16-2-1-9-22-16/h1-9,11H,(H,20,21) |
| InChIK | STAPCNIQKUZQBD-UHFFFAOYSA-N |
| TotalMolweight | 305.292 |
| Molweight | 305.292 |
| MonoisotopicMass | 305.080042 |
| CLogP | 3.1648 |
| CLogS | -5.636 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 247.84 |
| Relative PSA | 0.31387 |
| PolarSurfaceArea | 91.53 |
| Druglikeness | 1.9935 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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