(5Z)-3-(3,4-dichlorophenyl)-5-[(2-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C19H9NO3Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5Z)-3-(3,4-dichlorophenyl)-5-[(2-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(3,4-dichlorophenyl)-5-[(2-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C19H9NO3Cl2S2 |
| Smiles | O=C(/C(/SC1=S)=C/C2=Cc(cccc3)c3OC2=O)N1c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C19H9Cl2NO3S2/c20-13-6-5-12(9-14(13)21)22-17(23)16(27-19(22)26)8-11-7-10-3-1-2-4-15(10)25-18(11)24/h1-9H |
| InChIK | YTDGELOLCNKIEB-UHFFFAOYSA-N |
| TotalMolweight | 434.322 |
| Molweight | 434.322 |
| MonoisotopicMass | 432.940088 |
| CLogP | 3.9483 |
| CLogS | -6.737 |
| H Acceptors | 4 |
| TotalSurfaceArea | 292.28 |
| Relative PSA | 0.29123 |
| PolarSurfaceArea | 104 |
| Druglikeness | 3.2809 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-(3,4-dichlorophenyl)-5-[(2-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(3,4-dichlorophenyl)-5-[(2-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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