(E)-2-oxo-3-quinolin-2-yl-4-thiophen-2-ylbut-3-enoic acid
Formula:C17H11NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-oxo-3-quinolin-2-yl-4-thiophen-2-ylbut-3-enoic acid is a drug-like molecule.
| MolName | (E)-2-oxo-3-quinolin-2-yl-4-thiophen-2-ylbut-3-enoic acid |
| MolecularFormula | C17H11NO3S |
| Smiles | OC(C(/C(/c1nc2ccccc2cc1)=C/c1cccs1)=O)=O |
| InChI | InChI=1S/C17H11NO3S/c19-16(17(20)21)13(10-12-5-3-9-22-12)15-8-7-11-4-1-2-6-14(11)18-15/h1-10H,(H,20,21) |
| InChIK | ONRVIXLSPHMFOU-UHFFFAOYSA-N |
| TotalMolweight | 309.344 |
| Molweight | 309.344 |
| MonoisotopicMass | 309.045964 |
| CLogP | 2.4487 |
| CLogS | -3.618 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 228.88 |
| Relative PSA | 0.30807 |
| PolarSurfaceArea | 95.5 |
| Druglikeness | -4.662 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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