(5Z)-3-anilino-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H12N2OS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(5Z)-3-anilino-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-anilino-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H12N2OS2 |
| Smiles | O=C(/C(/SC1=S)=C/c2ccccc2)N1Nc1ccccc1 |
| InChI | InChI=1S/C16H12N2OS2/c19-15-14(11-12-7-3-1-4-8-12)21-16(20)18(15)17-13-9-5-2-6-10-13/h1-11,17H |
| InChIK | WISOPCUPADLRMD-UHFFFAOYSA-N |
| TotalMolweight | 312.416 |
| Molweight | 312.416 |
| MonoisotopicMass | 312.039103 |
| CLogP | 3.1105 |
| CLogS | -4.112 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 233.94 |
| Relative PSA | 0.31435 |
| PolarSurfaceArea | 89.73 |
| Druglikeness | 3.4019 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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