3-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
Formula:C18H12NO4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 3-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid |
| MolecularFormula | C18H12NO4FS |
| Smiles | OC(c1cccc(/C=C(/C(N2Cc(cc3)ccc3F)=O)\SC2=O)c1)=O |
| InChI | InChI=1S/C18H12FNO4S/c19-14-6-4-11(5-7-14)10-20-16(21)15(25-18(20)24)9-12-2-1-3-13(8-12)17(22)23/h1-9H,10H2,(H,22,23) |
| InChIK | QOPAXITVPOJESI-UHFFFAOYSA-N |
| TotalMolweight | 357.36 |
| Molweight | 357.36 |
| MonoisotopicMass | 357.047107 |
| CLogP | 2.7463 |
| CLogS | -4.437 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 251.73 |
| Relative PSA | 0.29103 |
| PolarSurfaceArea | 99.98 |
| Druglikeness | 2.9261 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid | 2 - 3-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off