(2R)-2-hydroxy-2-phenyl-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
Formula:C20H15N2O3F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(2R)-2-hydroxy-2-phenyl-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | (2R)-2-hydroxy-2-phenyl-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C20H15N2O3F3 |
| Smiles | O[C@@H](C(N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)=O)c1ccccc1 |
| InChI | InChI=1S/C20H15F3N2O3/c21-20(22,23)15-8-4-7-14(11-15)17-10-9-16(28-17)12-24-25-19(27)18(26)13-5-2-1-3-6-13/h1-12,18,26H,(H,25,27)/t18-/m1/s1 |
| InChIK | PGOLRVCYBFAMOA-GOSISDBHSA-N |
| TotalMolweight | 388.344 |
| Molweight | 388.344 |
| MonoisotopicMass | 388.103477 |
| CLogP | 3.9168 |
| CLogS | -5.376 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 284.75 |
| Relative PSA | 0.22202 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | -0.021716 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
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