(5Z)-5-(anthracen-9-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
Formula:C18H12N2OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(5Z)-5-(anthracen-9-ylmethylidene)-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-(anthracen-9-ylmethylidene)-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C18H12N2OS |
| Smiles | O=C(/C(/N1)=C/c2c(cccc3)c3cc3ccccc23)NC1=S |
| InChI | InChI=1S/C18H12N2OS/c21-17-16(19-18(22)20-17)10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H,(H2,19,20,21,22) |
| InChIK | MPCVOKZZRKEXSD-UHFFFAOYSA-N |
| TotalMolweight | 304.372 |
| Molweight | 304.372 |
| MonoisotopicMass | 304.067033 |
| CLogP | 3.6176 |
| CLogS | -6.032 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 227.05 |
| Relative PSA | 0.2817 |
| PolarSurfaceArea | 73.22 |
| Druglikeness | 2.1205 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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