2-hydroxy-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
Formula:C21H17N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]-2,2-diphenylacetamide is a drug-like molecule.
| MolName | 2-hydroxy-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]-2,2-diphenylacetamide |
| MolecularFormula | C21H17N3O5 |
| Smiles | [O-][N+](c(ccc(/C=N\NC(C(c1ccccc1)(c1ccccc1)O)=O)c1)c1O)=O |
| InChI | InChI=1S/C21H17N3O5/c25-19-13-15(11-12-18(19)24(28)29)14-22-23-20(26)21(27,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,25,27H,(H,23,26) |
| InChIK | JQILYZZBXXMCRG-UHFFFAOYSA-N |
| TotalMolweight | 391.382 |
| Molweight | 391.382 |
| MonoisotopicMass | 391.116822 |
| CLogP | 2.2146 |
| CLogS | -4.591 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 293.53 |
| Relative PSA | 0.31557 |
| PolarSurfaceArea | 127.74 |
| Druglikeness | 0.31741 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-hydroxy-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]-2,2-diphenylacetamide | 2 - 2-hydroxy-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
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