2-[3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid
Formula:C16H11N2O5ClS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-[3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid is a drug-like molecule.
| MolName | 2-[3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid |
| MolecularFormula | C16H11N2O5ClS2 |
| Smiles | OC(CN(C(CC1N(C(/C(/S2)=C/c(cc3)ccc3Cl)=O)C2=S)=O)C1=O)=O |
| InChI | InChI=1S/C16H11ClN2O5S2/c17-9-3-1-8(2-4-9)5-11-15(24)19(16(25)26-11)10-6-12(20)18(14(10)23)7-13(21)22/h1-5,10H,6-7H2,(H,21,22)/t10-/m0/s1 |
| InChIK | PKZFPKQRXLWAAO-JTQLQIEISA-N |
| TotalMolweight | 410.857 |
| Molweight | 410.857 |
| MonoisotopicMass | 409.97979 |
| CLogP | 0.1598 |
| CLogS | -3.53 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 274.56 |
| Relative PSA | 0.42923 |
| PolarSurfaceArea | 152.38 |
| Druglikeness | 0.11062 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-[3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid | 2 - 2-[3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid
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