(5E)-3-(2-chlorobenzoyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H8NO3ClS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(2-chlorobenzoyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-(2-chlorobenzoyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H8NO3ClS2 |
| Smiles | O=C(c(cccc1)c1Cl)N(C(/C(/S1)=C\c2ccco2)=O)C1=S |
| InChI | InChI=1S/C15H8ClNO3S2/c16-11-6-2-1-5-10(11)13(18)17-14(19)12(22-15(17)21)8-9-4-3-7-20-9/h1-8H |
| InChIK | MIZBQLVOAZNZRI-UHFFFAOYSA-N |
| TotalMolweight | 349.818 |
| Molweight | 349.818 |
| MonoisotopicMass | 348.963411 |
| CLogP | 2.6923 |
| CLogS | -5.008 |
| H Acceptors | 4 |
| TotalSurfaceArea | 245.34 |
| Relative PSA | 0.3637 |
| PolarSurfaceArea | 107.91 |
| Druglikeness | 2.6652 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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