2-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonic acid
Formula:C16H11NO4S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonic acid is a drug-like molecule.
| MolName | 2-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonic acid |
| MolecularFormula | C16H11NO4S3 |
| Smiles | OS(c1c(/C=C(\C(N2c3ccccc3)=O)/SC2=S)cccc1)(=O)=O |
| InChI | InChI=1S/C16H11NO4S3/c18-15-13(10-11-6-4-5-9-14(11)24(19,20)21)23-16(22)17(15)12-7-2-1-3-8-12/h1-10H,(H,19,20,21) |
| InChIK | WHAPVGOPRIRUJR-UHFFFAOYSA-N |
| TotalMolweight | 377.464 |
| Molweight | 377.464 |
| MonoisotopicMass | 376.985019 |
| CLogP | 0.663 |
| CLogS | -3.589 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 257.41 |
| Relative PSA | 0.40309 |
| PolarSurfaceArea | 140.45 |
| Druglikeness | 3.0332 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonic acid | 2 - 2-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonic acid
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