4-[[2-[(Z)-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid
Formula:C25H17NO5ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[2-[(Z)-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[[2-[(Z)-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid |
| MolecularFormula | C25H17NO5ClFS |
| Smiles | OC(c1ccc(COc2c(/C=C(/C(N3Cc(c(F)ccc4)c4Cl)=O)\SC3=O)cccc2)cc1)=O |
| InChI | InChI=1S/C25H17ClFNO5S/c26-19-5-3-6-20(27)18(19)13-28-23(29)22(34-25(28)32)12-17-4-1-2-7-21(17)33-14-15-8-10-16(11-9-15)24(30)31/h1-12H,13-14H2,(H,30,31) |
| InChIK | KOABTJVTKJNNTP-UHFFFAOYSA-N |
| TotalMolweight | 497.929 |
| Molweight | 497.929 |
| MonoisotopicMass | 497.049999 |
| CLogP | 4.7004 |
| CLogS | -6.514 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 350.67 |
| Relative PSA | 0.23743 |
| PolarSurfaceArea | 109.21 |
| Druglikeness | 2.7884 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[[2-[(Z)-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid | 2 - 4-[[2-[(Z)-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid
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