(Z)-4-oxo-4-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]but-2-enoic acid
Formula:C19H14N2O3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-4-oxo-4-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]but-2-enoic acid is a drug-like molecule.
| MolName | (Z)-4-oxo-4-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]but-2-enoic acid |
| MolecularFormula | C19H14N2O3S |
| Smiles | OC(/C=C\C(Nc(cc1)ccc1-c1csc(-c2ccccc2)n1)=O)=O |
| InChI | InChI=1S/C19H14N2O3S/c22-17(10-11-18(23)24)20-15-8-6-13(7-9-15)16-12-25-19(21-16)14-4-2-1-3-5-14/h1-12H,(H,20,22)(H,23,24) |
| InChIK | LVEUADPGGSTCQW-UHFFFAOYSA-N |
| TotalMolweight | 350.397 |
| Molweight | 350.397 |
| MonoisotopicMass | 350.072513 |
| CLogP | 3.1489 |
| CLogS | -3.85 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 267.29 |
| Relative PSA | 0.30667 |
| PolarSurfaceArea | 107.53 |
| Druglikeness | 3.2917 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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