(2E)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
Formula:C21H14N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is a drug-like molecule.
| MolName | (2E)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone |
| MolecularFormula | C21H14N3O3Cl |
| Smiles | [O-][N+](c(cc(/C=N\N=C(\C(c1ccccc1)=O)/c1ccccc1)cc1)c1Cl)=O |
| InChI | InChI=1S/C21H14ClN3O3/c22-18-12-11-15(13-19(18)25(27)28)14-23-24-20(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-14H |
| InChIK | IZFVSONJDLDNKQ-UHFFFAOYSA-N |
| TotalMolweight | 391.813 |
| Molweight | 391.813 |
| MonoisotopicMass | 391.072369 |
| CLogP | 4.9615 |
| CLogS | -7.004 |
| H Acceptors | 6 |
| TotalSurfaceArea | 297.35 |
| Relative PSA | 0.22357 |
| PolarSurfaceArea | 87.61 |
| Druglikeness | -2.3872 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (2E)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone | 2 - (2E)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
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