2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid
Formula:C15H12NO5FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid is a drug-like molecule.
| MolName | 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid |
| MolecularFormula | C15H12NO5FS2 |
| Smiles | OC(CCC(C(O)=O)N(C(/C(/S1)=C/c(cc2)ccc2F)=O)C1=S)=O |
| InChI | InChI=1S/C15H12FNO5S2/c16-9-3-1-8(2-4-9)7-11-13(20)17(15(23)24-11)10(14(21)22)5-6-12(18)19/h1-4,7,10H,5-6H2,(H,18,19)(H,21,22)/t10-/m0/s1 |
| InChIK | AVVSOOIRSXQVCX-JTQLQIEISA-N |
| TotalMolweight | 369.392 |
| Molweight | 369.392 |
| MonoisotopicMass | 369.014092 |
| CLogP | 0.6197 |
| CLogS | -3.62 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 257.29 |
| Relative PSA | 0.44448 |
| PolarSurfaceArea | 152.3 |
| Druglikeness | -0.91782 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
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1 - 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid | 2 - 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid
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