N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide
Formula:C20H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C20H15N3O3 |
| Smiles | N#Cc1c(COc2ccc(/C=N\NC(c3ccco3)=O)cc2)cccc1 |
| InChI | InChI=1S/C20H15N3O3/c21-12-16-4-1-2-5-17(16)14-26-18-9-7-15(8-10-18)13-22-23-20(24)19-6-3-11-25-19/h1-11,13H,14H2,(H,23,24) |
| InChIK | IPIBSWXGOXGBNL-UHFFFAOYSA-N |
| TotalMolweight | 345.357 |
| Molweight | 345.357 |
| MonoisotopicMass | 345.111342 |
| CLogP | 3.574 |
| CLogS | -5.517 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 281.91 |
| Relative PSA | 0.26136 |
| PolarSurfaceArea | 87.62 |
| Druglikeness | -0.070444 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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