(6,7-dihydroxy-2-oxochromen-4-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate
Formula:C24H15NO6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(6,7-dihydroxy-2-oxochromen-4-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate is a drug-like molecule.
| MolName | (6,7-dihydroxy-2-oxochromen-4-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate |
| MolecularFormula | C24H15NO6S |
| Smiles | Oc(c(O)c1)cc(C(COC(c2cc(-c3cccs3)nc3ccccc23)=O)=C2)c1OC2=O |
| InChI | InChI=1S/C24H15NO6S/c26-19-10-15-13(8-23(28)31-21(15)11-20(19)27)12-30-24(29)16-9-18(22-6-3-7-32-22)25-17-5-2-1-4-14(16)17/h1-11,26-27H,12H2 |
| InChIK | UUPOKVNKPCGHKU-UHFFFAOYSA-N |
| TotalMolweight | 445.45 |
| Molweight | 445.45 |
| MonoisotopicMass | 445.062009 |
| CLogP | 3.9756 |
| CLogS | -4.985 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 315.25 |
| Relative PSA | 0.32866 |
| PolarSurfaceArea | 134.19 |
| Druglikeness | -0.48953 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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