3-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Formula:C13H11NO4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid is a drug-like molecule.
| MolName | 3-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid |
| MolecularFormula | C13H11NO4S2 |
| Smiles | OC(CCN(C(/C(/S1)=C/C=C/c2ccco2)=O)C1=S)=O |
| InChI | InChI=1S/C13H11NO4S2/c15-11(16)6-7-14-12(17)10(20-13(14)19)5-1-3-9-4-2-8-18-9/h1-5,8H,6-7H2,(H,15,16) |
| InChIK | JLCSUJYZDDZHSW-UHFFFAOYSA-N |
| TotalMolweight | 309.365 |
| Molweight | 309.365 |
| MonoisotopicMass | 309.012949 |
| CLogP | 0.8268 |
| CLogS | -3.177 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 230.53 |
| Relative PSA | 0.44389 |
| PolarSurfaceArea | 128.14 |
| Druglikeness | 4.1988 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid | 2 - 3-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off