2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid
Formula:C18H12NO3FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid is a drug-like molecule.
| MolName | 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid |
| MolecularFormula | C18H12NO3FS2 |
| Smiles | OC(C(c1ccccc1)N(C(/C(/S1)=C/c(cc2)ccc2F)=O)C1=S)=O |
| InChI | InChI=1S/C18H12FNO3S2/c19-13-8-6-11(7-9-13)10-14-16(21)20(18(24)25-14)15(17(22)23)12-4-2-1-3-5-12/h1-10,15H,(H,22,23)/t15-/m1/s1 |
| InChIK | VOSYPXSHMLLTKA-OAHLLOKOSA-N |
| TotalMolweight | 373.427 |
| Molweight | 373.427 |
| MonoisotopicMass | 373.024262 |
| CLogP | 1.9264 |
| CLogS | -4.321 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 265.43 |
| Relative PSA | 0.33237 |
| PolarSurfaceArea | 115 |
| Druglikeness | 2.2067 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid | 2 - 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off