(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H11NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H11NO3S2 |
| Smiles | Oc1cccc(N(C(/C(/S2)=C/C=C/c3ccco3)=O)C2=S)c1 |
| InChI | InChI=1S/C16H11NO3S2/c18-12-5-1-4-11(10-12)17-15(19)14(22-16(17)21)8-2-6-13-7-3-9-20-13/h1-10,18H |
| InChIK | UDWAAPWKAAZYOG-UHFFFAOYSA-N |
| TotalMolweight | 329.399 |
| Molweight | 329.399 |
| MonoisotopicMass | 329.018034 |
| CLogP | 2.3919 |
| CLogS | -4.681 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 245.02 |
| Relative PSA | 0.36442 |
| PolarSurfaceArea | 111.07 |
| Druglikeness | 2.7875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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