(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H15NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H15NO3S2 |
| Smiles | Oc1ccc(/C=C(/C(N2CC3OCCC3)=O)\SC2=S)cc1 |
| InChI | InChI=1S/C15H15NO3S2/c17-11-5-3-10(4-6-11)8-13-14(18)16(15(20)21-13)9-12-2-1-7-19-12/h3-6,8,12,17H,1-2,7,9H2/t12-/m1/s1 |
| InChIK | AWFVCJJDTXVPDE-GFCCVEGCSA-N |
| TotalMolweight | 321.42 |
| Molweight | 321.42 |
| MonoisotopicMass | 321.049334 |
| CLogP | 1.3512 |
| CLogS | -3.527 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 233.11 |
| Relative PSA | 0.36541 |
| PolarSurfaceArea | 107.16 |
| Druglikeness | 2.8154 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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