4-[(E)-2-(2-chlorophenyl)ethenyl]-6-phenoxy-2,3-dihydrothieno[3,2-c]quinoline
Formula:C25H18NOClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[(E)-2-(2-chlorophenyl)ethenyl]-6-phenoxy-2,3-dihydrothieno[3,2-c]quinoline is not a drug-like molecule.
| MolName | 4-[(E)-2-(2-chlorophenyl)ethenyl]-6-phenoxy-2,3-dihydrothieno[3,2-c]quinoline |
| MolecularFormula | C25H18NOClS |
| Smiles | Clc1c(/C=C/c(c2c(c3ccc4)SCC2)nc3c4Oc2ccccc2)cccc1 |
| InChI | InChI=1S/C25H18ClNOS/c26-21-11-5-4-7-17(21)13-14-22-19-15-16-29-25(19)20-10-6-12-23(24(20)27-22)28-18-8-2-1-3-9-18/h1-14H,15-16H2 |
| InChIK | URMLRQGKYQHVOZ-UHFFFAOYSA-N |
| TotalMolweight | 415.943 |
| Molweight | 415.943 |
| MonoisotopicMass | 415.079761 |
| CLogP | 6.0857 |
| CLogS | -8.644 |
| H Acceptors | 2 |
| TotalSurfaceArea | 309.57 |
| Relative PSA | 0.12424 |
| PolarSurfaceArea | 47.42 |
| Druglikeness | -0.7825 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-[(E)-2-(2-chlorophenyl)ethenyl]-6-phenoxy-2,3-dihydrothieno[3,2-c]quinoline | 2 - 4-[(E)-2-(2-chlorophenyl)ethenyl]-6-phenoxy-2,3-dihydrothieno[3,2-c]quinoline
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