(2S)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
Formula:C19H14N2O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(2S)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide is a drug-like molecule.
| MolName | (2S)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide |
| MolecularFormula | C19H14N2O3Cl2 |
| Smiles | O[C@H](C(N/N=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1)=O)c1ccccc1 |
| InChI | InChI=1S/C19H14Cl2N2O3/c20-15-8-6-13(10-16(15)21)17-9-7-14(26-17)11-22-23-19(25)18(24)12-4-2-1-3-5-12/h1-11,18,24H,(H,23,25)/t18-/m0/s1 |
| InChIK | FQCKJZHXEYDTIU-SFHVURJKSA-N |
| TotalMolweight | 389.237 |
| Molweight | 389.237 |
| MonoisotopicMass | 388.038147 |
| CLogP | 4.2805 |
| CLogS | -6.07 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 286.13 |
| Relative PSA | 0.22095 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 7.2045 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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 - (2S)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide | 2 - (2S)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
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