2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid
Formula:C14H10NO5ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid is a drug-like molecule.
| MolName | 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid |
| MolecularFormula | C14H10NO5ClS2 |
| Smiles | OC(CC(C(O)=O)N(C(/C(/S1)=C/c(cc2)ccc2Cl)=O)C1=S)=O |
| InChI | InChI=1S/C14H10ClNO5S2/c15-8-3-1-7(2-4-8)5-10-12(19)16(14(22)23-10)9(13(20)21)6-11(17)18/h1-5,9H,6H2,(H,17,18)(H,20,21)/t9-/m0/s1 |
| InChIK | NFCFWBGPXXNSSR-VIFPVBQESA-N |
| TotalMolweight | 371.82 |
| Molweight | 371.82 |
| MonoisotopicMass | 370.968891 |
| CLogP | 0.6705 |
| CLogS | -3.772 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 252.6 |
| Relative PSA | 0.45273 |
| PolarSurfaceArea | 152.3 |
| Druglikeness | 1.986 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
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1 - 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid | 2 - 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid
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