(2E,5Z)-5-benzylidene-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
Formula:C23H17N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,5Z)-5-benzylidene-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2E,5Z)-5-benzylidene-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one |
| MolecularFormula | C23H17N3O2S |
| Smiles | Oc(cc1)ccc1N(C(/C(/S1)=C/c2ccccc2)=O)/C1=N\N=C/c1ccccc1 |
| InChI | InChI=1S/C23H17N3O2S/c27-20-13-11-19(12-14-20)26-22(28)21(15-17-7-3-1-4-8-17)29-23(26)25-24-16-18-9-5-2-6-10-18/h1-16,27H |
| InChIK | GRQMLRODXXCTDZ-UHFFFAOYSA-N |
| TotalMolweight | 399.473 |
| Molweight | 399.473 |
| MonoisotopicMass | 399.104147 |
| CLogP | 6.0845 |
| CLogS | -6.528 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 303.61 |
| Relative PSA | 0.23122 |
| PolarSurfaceArea | 90.56 |
| Druglikeness | 5.0119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (2E,5Z)-5-benzylidene-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one | 2 - (2E,5Z)-5-benzylidene-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
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