(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Formula:C10H8N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C10H8N2O2S |
| Smiles | Oc1ccc(/C=C(/C(N2)=O)\NC2=S)cc1 |
| InChI | InChI=1S/C10H8N2O2S/c13-7-3-1-6(2-4-7)5-8-9(14)12-10(15)11-8/h1-5,13H,(H2,11,12,14,15) |
| InChIK | DHXJMWRHVSOSTD-UHFFFAOYSA-N |
| TotalMolweight | 220.252 |
| Molweight | 220.252 |
| MonoisotopicMass | 220.030648 |
| CLogP | 0.8831 |
| CLogS | -2.524 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 164.2 |
| Relative PSA | 0.46931 |
| PolarSurfaceArea | 93.45 |
| Druglikeness | 2.1413 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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