(5E)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
Formula:C22H15N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C22H15N2O2ClS |
| Smiles | Oc(ccc(/C=C(\C(N1c2ccccc2)=O)/S/C1=N\c1ccccc1)c1)c1Cl |
| InChI | InChI=1S/C22H15ClN2O2S/c23-18-13-15(11-12-19(18)26)14-20-21(27)25(17-9-5-2-6-10-17)22(28-20)24-16-7-3-1-4-8-16/h1-14,26H |
| InChIK | MQPOZVHOZMNSBU-UHFFFAOYSA-N |
| TotalMolweight | 406.892 |
| Molweight | 406.892 |
| MonoisotopicMass | 406.054275 |
| CLogP | 4.9383 |
| CLogS | -6.29 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 294.27 |
| Relative PSA | 0.19944 |
| PolarSurfaceArea | 78.2 |
| Druglikeness | 3.4201 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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 - (5E)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5E)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
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