(5Z)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C8H6N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C8H6N2OS2 |
| Smiles | O=C(/C(/S1)=C/c2ccc[nH]2)NC1=S |
| InChI | InChI=1S/C8H6N2OS2/c11-7-6(13-8(12)10-7)4-5-2-1-3-9-5/h1-4,9H,(H,10,11,12) |
| InChIK | RRJVVJRJMYKPGH-UHFFFAOYSA-N |
| TotalMolweight | 210.281 |
| Molweight | 210.281 |
| MonoisotopicMass | 209.992153 |
| CLogP | -0.0793 |
| CLogS | -2.548 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 153.45 |
| Relative PSA | 0.54728 |
| PolarSurfaceArea | 102.28 |
| Druglikeness | 2.6573 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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