(2R)-2-hydroxy-2-phenyl-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
Formula:C18H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-2-hydroxy-2-phenyl-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | (2R)-2-hydroxy-2-phenyl-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C18H16N2O3 |
| Smiles | C#CCOc1c(/C=N\NC([C@@H](c2ccccc2)O)=O)cccc1 |
| InChI | InChI=1S/C18H16N2O3/c1-2-12-23-16-11-7-6-10-15(16)13-19-20-18(22)17(21)14-8-4-3-5-9-14/h1,3-11,13,17,21H,12H2,(H,20,22)/t17-/m1/s1 |
| InChIK | BGPREMXTOWECQJ-QGZVFWFLSA-N |
| TotalMolweight | 308.336 |
| Molweight | 308.336 |
| MonoisotopicMass | 308.116093 |
| CLogP | 2.0868 |
| CLogS | -3.78 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 253.41 |
| Relative PSA | 0.23326 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 4.8835 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
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