(2E)-2-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
Formula:C21H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is a drug-like molecule.
| MolName | (2E)-2-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone |
| MolecularFormula | C21H15N3O3 |
| Smiles | [O-][N+](c1ccc(/C=N\N=C(\C(c2ccccc2)=O)/c2ccccc2)cc1)=O |
| InChI | InChI=1S/C21H15N3O3/c25-21(18-9-5-2-6-10-18)20(17-7-3-1-4-8-17)23-22-15-16-11-13-19(14-12-16)24(26)27/h1-15H |
| InChIK | XPODGHDVKKAUQP-UHFFFAOYSA-N |
| TotalMolweight | 357.368 |
| Molweight | 357.368 |
| MonoisotopicMass | 357.111342 |
| CLogP | 4.3555 |
| CLogS | -6.268 |
| H Acceptors | 6 |
| TotalSurfaceArea | 281.93 |
| Relative PSA | 0.2358 |
| PolarSurfaceArea | 87.61 |
| Druglikeness | -2.4297 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (2E)-2-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone | 2 - (2E)-2-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
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