4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-8-phenoxy-2,3-dihydrothieno[3,2-c]quinoline
Formula:C25H17NOCl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-8-phenoxy-2,3-dihydrothieno[3,2-c]quinoline is not a drug-like molecule.
| MolName | 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-8-phenoxy-2,3-dihydrothieno[3,2-c]quinoline |
| MolecularFormula | C25H17NOCl2S |
| Smiles | Clc1cccc(Cl)c1/C=C/c(c1c(c2c3)SCC1)nc2ccc3Oc1ccccc1 |
| InChI | InChI=1S/C25H17Cl2NOS/c26-21-7-4-8-22(27)18(21)10-12-23-19-13-14-30-25(19)20-15-17(9-11-24(20)28-23)29-16-5-2-1-3-6-16/h1-12,15H,13-14H2 |
| InChIK | NZKOOEHHZAJKKE-UHFFFAOYSA-N |
| TotalMolweight | 450.388 |
| Molweight | 450.388 |
| MonoisotopicMass | 449.040788 |
| CLogP | 6.6917 |
| CLogS | -9.38 |
| H Acceptors | 2 |
| TotalSurfaceArea | 324.99 |
| Relative PSA | 0.11834 |
| PolarSurfaceArea | 47.42 |
| Druglikeness | -0.7825 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-8-phenoxy-2,3-dihydrothieno[3,2-c]quinoline | 2 - 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-8-phenoxy-2,3-dihydrothieno[3,2-c]quinoline
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