2-[2-[(Z)-[3-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
Formula:C19H13NO5ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[3-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[3-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C19H13NO5ClFS |
| Smiles | OC(COc1c(/C=C(/C(N2Cc(ccc(F)c3)c3Cl)=O)\SC2=O)cccc1)=O |
| InChI | InChI=1S/C19H13ClFNO5S/c20-14-8-13(21)6-5-12(14)9-22-18(25)16(28-19(22)26)7-11-3-1-2-4-15(11)27-10-17(23)24/h1-8H,9-10H2,(H,23,24) |
| InChIK | ZACWMFXNOSIYRH-UHFFFAOYSA-N |
| TotalMolweight | 421.831 |
| Molweight | 421.831 |
| MonoisotopicMass | 421.018699 |
| CLogP | 2.9272 |
| CLogS | -4.953 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 290.91 |
| Relative PSA | 0.28621 |
| PolarSurfaceArea | 109.21 |
| Druglikeness | 3.161 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[3-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[3-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
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