(5E)-3-[(2-chloroanilino)methyl]-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C17H12N2O2Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5E)-3-[(2-chloroanilino)methyl]-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[(2-chloroanilino)methyl]-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C17H12N2O2Cl2S |
| Smiles | O=C(/C(/S1)=C\c(cccc2)c2Cl)N(CNc(cccc2)c2Cl)C1=O |
| InChI | InChI=1S/C17H12Cl2N2O2S/c18-12-6-2-1-5-11(12)9-15-16(22)21(17(23)24-15)10-20-14-8-4-3-7-13(14)19/h1-9,20H,10H2 |
| InChIK | URPHMSZVDHFNIF-UHFFFAOYSA-N |
| TotalMolweight | 379.266 |
| Molweight | 379.266 |
| MonoisotopicMass | 377.999652 |
| CLogP | 4.1157 |
| CLogS | -6.08 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 263.58 |
| Relative PSA | 0.22225 |
| PolarSurfaceArea | 74.71 |
| Druglikeness | 3.829 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-3-[(2-chloroanilino)methyl]-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5E)-3-[(2-chloroanilino)methyl]-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off