N-[2-[(2Z)-2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
Formula:C23H20N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide |
| MolecularFormula | C23H20N4O5 |
| Smiles | [O-][N+](c(cc1)c(/C=N\NC(CNC(C(c2ccccc2)c2ccccc2)=O)=O)cc1O)=O |
| InChI | InChI=1S/C23H20N4O5/c28-19-11-12-20(27(31)32)18(13-19)14-25-26-21(29)15-24-23(30)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22,28H,15H2,(H,24,30)(H,26,29) |
| InChIK | HUSZLEUNFXESNH-UHFFFAOYSA-N |
| TotalMolweight | 432.435 |
| Molweight | 432.435 |
| MonoisotopicMass | 432.143371 |
| CLogP | 2.5437 |
| CLogS | -4.766 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 332.24 |
| Relative PSA | 0.31312 |
| PolarSurfaceArea | 136.61 |
| Druglikeness | 1.2035 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide | 2 - N-[2-[(2Z)-2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
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