4-[(2E)-2-[(Z)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazol-4-yl]phenol
Formula:C23H17N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2E)-2-[(Z)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazol-4-yl]phenol is not a drug-like molecule.
| MolName | 4-[(2E)-2-[(Z)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazol-4-yl]phenol |
| MolecularFormula | C23H17N3O3S |
| Smiles | Oc(cc1)ccc1C(N1c2ccccc2)=CS/C1=N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C23H17N3O3S/c27-19-9-7-17(8-10-19)20-14-30-23(26(20)18-4-2-1-3-5-18)25-24-13-16-6-11-21-22(12-16)29-15-28-21/h1-14,27H,15H2 |
| InChIK | NAFJRJNWSCRNMW-UHFFFAOYSA-N |
| TotalMolweight | 415.472 |
| Molweight | 415.472 |
| MonoisotopicMass | 415.099062 |
| CLogP | 6.7191 |
| CLogS | -6.911 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 306.12 |
| Relative PSA | 0.25206 |
| PolarSurfaceArea | 91.95 |
| Druglikeness | 3.2519 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 4-[(2E)-2-[(Z)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazol-4-yl]phenol | 2 - 4-[(2E)-2-[(Z)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazol-4-yl]phenol
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