2-[(E)-2-naphthalen-1-ylethenyl]quinolin-8-ol
Formula:C21H15NO
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-naphthalen-1-ylethenyl]quinolin-8-ol is not a drug-like molecule.
| MolName | 2-[(E)-2-naphthalen-1-ylethenyl]quinolin-8-ol |
| MolecularFormula | C21H15NO |
| Smiles | Oc1cccc2ccc(/C=C/c3cccc4ccccc34)nc12 |
| InChI | InChI=1S/C21H15NO/c23-20-10-4-8-17-12-14-18(22-21(17)20)13-11-16-7-3-6-15-5-1-2-9-19(15)16/h1-14,23H |
| InChIK | MSXVYODTAOLCGW-UHFFFAOYSA-N |
| TotalMolweight | 297.356 |
| Molweight | 297.356 |
| MonoisotopicMass | 297.115364 |
| CLogP | 5.0853 |
| CLogS | -5.792 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 233.83 |
| Relative PSA | 0.10294 |
| PolarSurfaceArea | 33.12 |
| Druglikeness | -1.399 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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