2-[(5Z)-5-(2H-chromen-3-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Formula:C15H13NO5S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5Z)-5-(2H-chromen-3-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid is a drug-like molecule.
| MolName | 2-[(5Z)-5-(2H-chromen-3-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid |
| MolecularFormula | C15H13NO5S3 |
| Smiles | OS(CCN(C(/C(/S1)=C/C2=Cc(cccc3)c3OC2)=O)C1=S)(=O)=O |
| InChI | InChI=1S/C15H13NO5S3/c17-14-13(23-15(22)16(14)5-6-24(18,19)20)8-10-7-11-3-1-2-4-12(11)21-9-10/h1-4,7-8H,5-6,9H2,(H,18,19,20) |
| InChIK | YFGBJUZWFSVVBI-UHFFFAOYSA-N |
| TotalMolweight | 383.468 |
| Molweight | 383.468 |
| MonoisotopicMass | 382.995584 |
| CLogP | -0.0867 |
| CLogS | -2.962 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 260.14 |
| Relative PSA | 0.4373 |
| PolarSurfaceArea | 149.68 |
| Druglikeness | -7.6548 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(5Z)-5-(2H-chromen-3-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid | 2 - 2-[(5Z)-5-(2H-chromen-3-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
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