(5Z)-3-(3-chlorophenyl)-5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C18H11N2O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(3-chlorophenyl)-5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(3-chlorophenyl)-5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C18H11N2O3ClS2 |
| Smiles | [O-][N+](c1ccc(/C=C/C=C(/C(N2c3cccc(Cl)c3)=O)\SC2=S)cc1)=O |
| InChI | InChI=1S/C18H11ClN2O3S2/c19-13-4-2-5-15(11-13)20-17(22)16(26-18(20)25)6-1-3-12-7-9-14(10-8-12)21(23)24/h1-11H |
| InChIK | APTHSSTWQJXYEY-UHFFFAOYSA-N |
| TotalMolweight | 402.881 |
| Molweight | 402.881 |
| MonoisotopicMass | 401.98996 |
| CLogP | 3.2333 |
| CLogS | -6.491 |
| H Acceptors | 5 |
| TotalSurfaceArea | 288.07 |
| Relative PSA | 0.3211 |
| PolarSurfaceArea | 123.52 |
| Druglikeness | -1.988 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-3-(3-chlorophenyl)-5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(3-chlorophenyl)-5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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