2-[(3E)-3-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide
Formula:C23H17N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3E)-3-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide is a drug-like molecule.
| MolName | 2-[(3E)-3-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide |
| MolecularFormula | C23H17N5O4 |
| Smiles | [O-][N+](c1cc(/C=N\N=C(/c(cccc2)c2N2CC(Nc3ccccc3)=O)\C2=O)ccc1)=O |
| InChI | InChI=1S/C23H17N5O4/c29-21(25-17-8-2-1-3-9-17)15-27-20-12-5-4-11-19(20)22(23(27)30)26-24-14-16-7-6-10-18(13-16)28(31)32/h1-14H,15H2,(H,25,29) |
| InChIK | LJHLSJYMEWRBAK-UHFFFAOYSA-N |
| TotalMolweight | 427.419 |
| Molweight | 427.419 |
| MonoisotopicMass | 427.128055 |
| CLogP | 3.6399 |
| CLogS | -6.09 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 321.7 |
| Relative PSA | 0.29385 |
| PolarSurfaceArea | 119.95 |
| Druglikeness | 1.5438 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(3E)-3-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide | 2 - 2-[(3E)-3-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide
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