(5Z)-5-[(2-bromophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Formula:C10H7N2OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-[(2-bromophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(2-bromophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C10H7N2OBrS |
| Smiles | O=C(/C(/N1)=C/c(cccc2)c2Br)NC1=S |
| InChI | InChI=1S/C10H7BrN2OS/c11-7-4-2-1-3-6(7)5-8-9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15) |
| InChIK | AYQJWWJGQLZSNT-UHFFFAOYSA-N |
| TotalMolweight | 283.149 |
| Molweight | 283.149 |
| MonoisotopicMass | 281.946244 |
| CLogP | 1.954 |
| CLogS | -3.654 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 176.48 |
| Relative PSA | 0.36242 |
| PolarSurfaceArea | 73.22 |
| Druglikeness | 0.3305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.6 |
| 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 | 1 |
| Amides | 1 |
| StereoCon |
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