(5Z)-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
Formula:C22H14N2O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C22H14N2O2Cl2S |
| Smiles | Oc1cccc(/C=C(/C(N2c(cc3)ccc3Cl)=O)\S/C2=N\c(cc2)ccc2Cl)c1 |
| InChI | InChI=1S/C22H14Cl2N2O2S/c23-15-4-8-17(9-5-15)25-22-26(18-10-6-16(24)7-11-18)21(28)20(29-22)13-14-2-1-3-19(27)12-14/h1-13,27H |
| InChIK | FYTSZFUZMOYYNO-UHFFFAOYSA-N |
| TotalMolweight | 441.337 |
| Molweight | 441.337 |
| MonoisotopicMass | 440.015302 |
| CLogP | 5.5443 |
| CLogS | -7.026 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 309.69 |
| Relative PSA | 0.18951 |
| PolarSurfaceArea | 78.2 |
| Druglikeness | 3.4201 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.48276 |
| 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 | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one | 2 - (5Z)-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
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