8-phenoxy-4-[(E)-2-phenylethenyl]-2,3-dihydrothieno[3,2-c]quinoline
Formula:C25H19NOS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
8-phenoxy-4-[(E)-2-phenylethenyl]-2,3-dihydrothieno[3,2-c]quinoline is not a drug-like molecule.
| MolName | 8-phenoxy-4-[(E)-2-phenylethenyl]-2,3-dihydrothieno[3,2-c]quinoline |
| MolecularFormula | C25H19NOS |
| Smiles | C1c(c(/C=C/c2ccccc2)nc(c2c3)ccc3Oc3ccccc3)c2SC1 |
| InChI | InChI=1S/C25H19NOS/c1-3-7-18(8-4-1)11-13-23-21-15-16-28-25(21)22-17-20(12-14-24(22)26-23)27-19-9-5-2-6-10-19/h1-14,17H,15-16H2 |
| InChIK | FPHKEQMADXPAAB-UHFFFAOYSA-N |
| TotalMolweight | 381.498 |
| Molweight | 381.498 |
| MonoisotopicMass | 381.118734 |
| CLogP | 5.4797 |
| CLogS | -7.908 |
| H Acceptors | 2 |
| TotalSurfaceArea | 294.15 |
| Relative PSA | 0.13075 |
| PolarSurfaceArea | 47.42 |
| Druglikeness | -0.90667 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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