N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxyacetamide
Formula:C17H16N3O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxyacetamide |
| MolecularFormula | C17H16N3O4F |
| Smiles | OCC(N/N=C\c(cc1)ccc1OCC(Nc(cc1)ccc1F)=O)=O |
| InChI | InChI=1S/C17H16FN3O4/c18-13-3-5-14(6-4-13)20-17(24)11-25-15-7-1-12(2-8-15)9-19-21-16(23)10-22/h1-9,22H,10-11H2,(H,20,24)(H,21,23) |
| InChIK | QDRCTQMMPUKMOW-UHFFFAOYSA-N |
| TotalMolweight | 345.329 |
| Molweight | 345.329 |
| MonoisotopicMass | 345.112485 |
| CLogP | 1.6543 |
| CLogS | -3.65 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 266.42 |
| Relative PSA | 0.31383 |
| PolarSurfaceArea | 100.02 |
| Druglikeness | 3.6137 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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