(3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]inden-1-one
Formula:C28H20N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]inden-1-one is not a drug-like molecule.
| MolName | (3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]inden-1-one |
| MolecularFormula | C28H20N2O2S |
| Smiles | O=C(C(c1ccccc1)c1ccccc1)C(/C(/c1c2cccc1)=N/N=C\c1cccs1)C2=O |
| InChI | InChI=1S/C28H20N2O2S/c31-27-23-16-8-7-15-22(23)26(30-29-18-21-14-9-17-33-21)25(27)28(32)24(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-18,24-25H/t25-/m0/s1 |
| InChIK | HVGXDJIYCGJBDN-VWLOTQADSA-N |
| TotalMolweight | 448.545 |
| Molweight | 448.545 |
| MonoisotopicMass | 448.124548 |
| CLogP | 7.0723 |
| CLogS | -7.368 |
| H Acceptors | 4 |
| TotalSurfaceArea | 343.21 |
| Relative PSA | 0.20238 |
| PolarSurfaceArea | 87.1 |
| Druglikeness | 4.4834 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon | racemate |
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