2-[(2E)-3-(4-fluorophenyl)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Formula:C16H12N3O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2E)-3-(4-fluorophenyl)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid is a drug-like molecule.
| MolName | 2-[(2E)-3-(4-fluorophenyl)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid |
| MolecularFormula | C16H12N3O4FS |
| Smiles | OC(CC(C(N1c(cc2)ccc2F)=O)S/C1=N/N=C\c1ccco1)=O |
| InChI | InChI=1S/C16H12FN3O4S/c17-10-3-5-11(6-4-10)20-15(23)13(8-14(21)22)25-16(20)19-18-9-12-2-1-7-24-12/h1-7,9,13H,8H2,(H,21,22)/t13-/m0/s1 |
| InChIK | QLQPMTNUNYPAMW-ZDUSSCGKSA-N |
| TotalMolweight | 361.352 |
| Molweight | 361.352 |
| MonoisotopicMass | 361.053255 |
| CLogP | 3.4565 |
| CLogS | -4.931 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 259.19 |
| Relative PSA | 0.37559 |
| PolarSurfaceArea | 120.77 |
| Druglikeness | 4.8302 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-[(2E)-3-(4-fluorophenyl)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid | 2 - 2-[(2E)-3-(4-fluorophenyl)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off