(2E)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-1,2-diphenylethanone
Formula:C19H13N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2E)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-1,2-diphenylethanone is a drug-like molecule.
| MolName | (2E)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-1,2-diphenylethanone |
| MolecularFormula | C19H13N3O4 |
| Smiles | [O-][N+](c1ccc(/C=N\N=C(\C(c2ccccc2)=O)/c2ccccc2)o1)=O |
| InChI | InChI=1S/C19H13N3O4/c23-19(15-9-5-2-6-10-15)18(14-7-3-1-4-8-14)21-20-13-16-11-12-17(26-16)22(24)25/h1-13H |
| InChIK | BBOQCXKSBYPWKN-UHFFFAOYSA-N |
| TotalMolweight | 347.329 |
| Molweight | 347.329 |
| MonoisotopicMass | 347.090607 |
| CLogP | 3.8956 |
| CLogS | -6.475 |
| H Acceptors | 7 |
| TotalSurfaceArea | 271.62 |
| Relative PSA | 0.2967 |
| PolarSurfaceArea | 100.75 |
| Druglikeness | 1.4715 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (2E)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-1,2-diphenylethanone | 2 - (2E)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-1,2-diphenylethanone
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