2-[5-(2,3-dichlorophenyl)furan-2-yl]quinoline-4-carboxylate
Formula:C20H10NO3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[5-(2,3-dichlorophenyl)furan-2-yl]quinoline-4-carboxylate is a drug-like molecule.
| MolName | 2-[5-(2,3-dichlorophenyl)furan-2-yl]quinoline-4-carboxylate |
| MolecularFormula | C20H10NO3Cl2 |
| Smiles | [O-]C(c1cc(-c2ccc(-c3cccc(Cl)c3Cl)o2)nc2ccccc12)=O |
| InChI | InChI=1S/C20H11Cl2NO3/c21-14-6-3-5-12(19(14)22)17-8-9-18(26-17)16-10-13(20(24)25)11-4-1-2-7-15(11)23-16/h1-10H,(H,24,25)/p-1 |
| InChIK | OSRNAPWVHIGZTK-UHFFFAOYSA-M |
| TotalMolweight | 383.209 |
| Molweight | 383.209 |
| MonoisotopicMass | 382.003773 |
| CLogP | 3.3228 |
| CLogS | -6.713 |
| H Acceptors | 4 |
| TotalSurfaceArea | 271.95 |
| Relative PSA | 0.19268 |
| PolarSurfaceArea | 66.16 |
| Druglikeness | 1.0091 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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