(2R)-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
Formula:C19H14N3O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(2R)-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide is a drug-like molecule.
| MolName | (2R)-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide |
| MolecularFormula | C19H14N3O5Cl |
| Smiles | [O-][N+](c(cc1)cc(-c2ccc(/C=N\NC([C@@H](c3ccccc3)O)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C19H14ClN3O5/c20-16-8-6-13(23(26)27)10-15(16)17-9-7-14(28-17)11-21-22-19(25)18(24)12-4-2-1-3-5-12/h1-11,18,24H,(H,22,25)/t18-/m1/s1 |
| InChIK | VBSLAHXGPCNBKT-GOSISDBHSA-N |
| TotalMolweight | 399.789 |
| Molweight | 399.789 |
| MonoisotopicMass | 399.062199 |
| CLogP | 2.7529 |
| CLogS | -5.794 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 294.38 |
| Relative PSA | 0.31809 |
| PolarSurfaceArea | 120.65 |
| Druglikeness | 2.1752 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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