2-[(E)-2-(3-hydroxyphenyl)ethenyl]quinolin-8-ol
Formula:C17H13NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(3-hydroxyphenyl)ethenyl]quinolin-8-ol is a drug-like molecule.
| MolName | 2-[(E)-2-(3-hydroxyphenyl)ethenyl]quinolin-8-ol |
| MolecularFormula | C17H13NO2 |
| Smiles | Oc1cccc(/C=C/c2ccc(cccc3O)c3n2)c1 |
| InChI | InChI=1S/C17H13NO2/c19-15-5-1-3-12(11-15)7-9-14-10-8-13-4-2-6-16(20)17(13)18-14/h1-11,19-20H |
| InChIK | ZGCNQHDVSASYMK-UHFFFAOYSA-N |
| TotalMolweight | 263.295 |
| Molweight | 263.295 |
| MonoisotopicMass | 263.094629 |
| CLogP | 3.5452 |
| CLogS | -3.89 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 205.58 |
| Relative PSA | 0.18081 |
| PolarSurfaceArea | 53.35 |
| Druglikeness | -1.399 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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