(5Z)-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
Formula:C22H13N2OCl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C22H13N2OCl3S |
| Smiles | O=C(/C(/S/C1=N\c(cc2)ccc2Cl)=C/c(cc2)ccc2Cl)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C22H13Cl3N2OS/c23-15-3-1-14(2-4-15)13-20-21(28)27(19-11-7-17(25)8-12-19)22(29-20)26-18-9-5-16(24)6-10-18/h1-13H |
| InChIK | JYKVLFDNNPXGJB-UHFFFAOYSA-N |
| TotalMolweight | 459.783 |
| Molweight | 459.783 |
| MonoisotopicMass | 457.981414 |
| CLogP | 6.496 |
| CLogS | -8.058 |
| H Acceptors | 3 |
| TotalSurfaceArea | 318.76 |
| Relative PSA | 0.14302 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | 3.4133 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one | 2 - (5Z)-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off