(3E)-3-[(Z)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-1-benzylindol-2-one
Formula:C23H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(Z)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-1-benzylindol-2-one is not a drug-like molecule.
| MolName | (3E)-3-[(Z)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-1-benzylindol-2-one |
| MolecularFormula | C23H17N3O3 |
| Smiles | O=C1N(Cc2ccccc2)c(cccc2)c2/C1=N\N=C/c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C23H17N3O3/c27-23-22(25-24-13-17-10-11-20-21(12-17)29-15-28-20)18-8-4-5-9-19(18)26(23)14-16-6-2-1-3-7-16/h1-13H,14-15H2 |
| InChIK | VBVVEVKGTLHXIY-UHFFFAOYSA-N |
| TotalMolweight | 383.406 |
| Molweight | 383.406 |
| MonoisotopicMass | 383.126992 |
| CLogP | 5.2986 |
| CLogS | -6.39 |
| H Acceptors | 6 |
| TotalSurfaceArea | 289.08 |
| Relative PSA | 0.20621 |
| PolarSurfaceArea | 63.49 |
| Druglikeness | 5.8463 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (3E)-3-[(Z)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-1-benzylindol-2-one | 2 - (3E)-3-[(Z)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-1-benzylindol-2-one
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