(2R)-2-hydroxy-2-phenyl-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C19H13N2O3Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(2R)-2-hydroxy-2-phenyl-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | (2R)-2-hydroxy-2-phenyl-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H13N2O3Cl3 |
| Smiles | O[C@@H](C(N/N=C\c1ccc(-c(c(Cl)c2)cc(Cl)c2Cl)o1)=O)c1ccccc1 |
| InChI | InChI=1S/C19H13Cl3N2O3/c20-14-9-16(22)15(21)8-13(14)17-7-6-12(27-17)10-23-24-19(26)18(25)11-4-2-1-3-5-11/h1-10,18,25H,(H,24,26)/t18-/m1/s1 |
| InChIK | NRCCFYYSNQDBIS-GOSISDBHSA-N |
| TotalMolweight | 423.682 |
| Molweight | 423.682 |
| MonoisotopicMass | 421.999174 |
| CLogP | 4.8865 |
| CLogS | -6.806 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 301.55 |
| Relative PSA | 0.20965 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 7.2045 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
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1 - (2R)-2-hydroxy-2-phenyl-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide | 2 - (2R)-2-hydroxy-2-phenyl-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide
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