(2S)-2-hydroxy-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
Formula:C19H15N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(2S)-2-hydroxy-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | (2S)-2-hydroxy-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide |
| MolecularFormula | C19H15N3O5 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC([C@H](c2ccccc2)O)=O)o1)=O |
| InChI | InChI=1S/C19H15N3O5/c23-18(14-4-2-1-3-5-14)19(24)21-20-12-16-10-11-17(27-16)13-6-8-15(9-7-13)22(25)26/h1-12,18,23H,(H,21,24)/t18-/m0/s1 |
| InChIK | HVYAPCKANOETKX-SFHVURJKSA-N |
| TotalMolweight | 365.344 |
| Molweight | 365.344 |
| MonoisotopicMass | 365.101172 |
| CLogP | 2.1469 |
| CLogS | -5.058 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 278.96 |
| Relative PSA | 0.33568 |
| PolarSurfaceArea | 120.65 |
| Druglikeness | 2.1333 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| 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 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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