(5E)-5-(furan-2-ylmethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one
Formula:C14H10N2O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5E)-5-(furan-2-ylmethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-(furan-2-ylmethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C14H10N2O2S |
| Smiles | O=C(/C(/NC1=S)=C\c2ccco2)N1c1ccccc1 |
| InChI | InChI=1S/C14H10N2O2S/c17-13-12(9-11-7-4-8-18-11)15-14(19)16(13)10-5-2-1-3-6-10/h1-9H,(H,15,19) |
| InChIK | CTIQYFQLZBZERY-UHFFFAOYSA-N |
| TotalMolweight | 270.311 |
| Molweight | 270.311 |
| MonoisotopicMass | 270.046298 |
| CLogP | 2.1656 |
| CLogS | -3.985 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 206.14 |
| Relative PSA | 0.34035 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | 2.5448 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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