(5E)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
Formula:C22H16N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5E)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C22H16N2O2S |
| Smiles | Oc1ccc(/C=C(\C(N2c3ccccc3)=O)/S/C2=N\c2ccccc2)cc1 |
| InChI | InChI=1S/C22H16N2O2S/c25-19-13-11-16(12-14-19)15-20-21(26)24(18-9-5-2-6-10-18)22(27-20)23-17-7-3-1-4-8-17/h1-15,25H |
| InChIK | QMGSAILPIPRCLC-UHFFFAOYSA-N |
| TotalMolweight | 372.447 |
| Molweight | 372.447 |
| MonoisotopicMass | 372.093248 |
| CLogP | 4.3323 |
| CLogS | -5.554 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 278.85 |
| Relative PSA | 0.21047 |
| PolarSurfaceArea | 78.2 |
| Druglikeness | 3.3679 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5E)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
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