(4E)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-yl-5-thiophen-2-ylpyrrolidine-2,3-dione
Formula:C20H14N2O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(4E)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-yl-5-thiophen-2-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-yl-5-thiophen-2-ylpyrrolidine-2,3-dione |
| MolecularFormula | C20H14N2O3S |
| Smiles | O/C(/c1ccccc1)=C(\C(c1cccs1)N(C1=O)c2ncccc2)/C1=O |
| InChI | InChI=1S/C20H14N2O3S/c23-18(13-7-2-1-3-8-13)16-17(14-9-6-12-26-14)22(20(25)19(16)24)15-10-4-5-11-21-15/h1-12,17,23H/t17-/m0/s1 |
| InChIK | DZWNKPIPYKKTAX-KRWDZBQOSA-N |
| TotalMolweight | 362.408 |
| Molweight | 362.408 |
| MonoisotopicMass | 362.072513 |
| CLogP | 2.6514 |
| CLogS | -3.733 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 261.55 |
| Relative PSA | 0.28316 |
| PolarSurfaceArea | 98.74 |
| Druglikeness | 1.045 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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