(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H10N2O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H10N2O4S2 |
| Smiles | [O-][N+](c(cc1)ccc1N(C(/C(/S1)=C/c(cc2)ccc2O)=O)C1=S)=O |
| InChI | InChI=1S/C16H10N2O4S2/c19-13-7-1-10(2-8-13)9-14-15(20)17(16(23)24-14)11-3-5-12(6-4-11)18(21)22/h1-9,19H |
| InChIK | ZXXUMJIVLIVTMZ-UHFFFAOYSA-N |
| TotalMolweight | 358.397 |
| Molweight | 358.397 |
| MonoisotopicMass | 358.008198 |
| CLogP | 1.625 |
| CLogS | -5.147 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 252.5 |
| Relative PSA | 0.41822 |
| PolarSurfaceArea | 143.75 |
| Druglikeness | -2.261 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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