2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid
Formula:C15H11NO5Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid is a drug-like molecule.
| MolName | 2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid |
| MolecularFormula | C15H11NO5Cl2S2 |
| Smiles | OC(CCC(C(O)=O)N(C(/C(/S1)=C/c(ccc(Cl)c2)c2Cl)=O)C1=S)=O |
| InChI | InChI=1S/C15H11Cl2NO5S2/c16-8-2-1-7(9(17)6-8)5-11-13(21)18(15(24)25-11)10(14(22)23)3-4-12(19)20/h1-2,5-6,10H,3-4H2,(H,19,20)(H,22,23)/t10-/m0/s1 |
| InChIK | YLRBQUTWXSKNQY-JTQLQIEISA-N |
| TotalMolweight | 420.292 |
| Molweight | 420.292 |
| MonoisotopicMass | 418.945568 |
| CLogP | 1.7309 |
| CLogS | -4.778 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 281.78 |
| Relative PSA | 0.40585 |
| PolarSurfaceArea | 152.3 |
| Druglikeness | 0.49783 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid | 2 - 2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off