N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C26H19N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C26H19N3O3 |
| Smiles | N#Cc(cc1)ccc1-c1ccc(/C=N\NC(C(c2ccccc2)(c2ccccc2)O)=O)o1 |
| InChI | InChI=1S/C26H19N3O3/c27-17-19-11-13-20(14-12-19)24-16-15-23(32-24)18-28-29-25(30)26(31,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-16,18,31H,(H,29,30) |
| InChIK | MZBLEKHDDKLVDB-UHFFFAOYSA-N |
| TotalMolweight | 421.455 |
| Molweight | 421.455 |
| MonoisotopicMass | 421.142642 |
| CLogP | 4.2564 |
| CLogS | -6.66 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 334.67 |
| Relative PSA | 0.22942 |
| PolarSurfaceArea | 98.62 |
| Druglikeness | 3.1283 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| StereoCon |
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