2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxyquinoline
PubChem CID: 14521140
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| Compound Synonyms | AKOS000278039 |
|---|---|
| Topological Polar Surface Area | 40.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 427.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxyquinoline |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C19H15NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CSEYCWDCFXVBDU-SOFGYWHQSA-N |
| Fcsp3 | 0.1052631578947368 |
| Logs | -5.813 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.982 |
| Compound Name | 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxyquinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 305.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 305.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 305.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.746247208695651 |
| Inchi | InChI=1S/C19H15NO3/c1-21-18-11-14(20-16-5-3-2-4-15(16)18)8-6-13-7-9-17-19(10-13)23-12-22-17/h2-11H,12H2,1H3/b8-6+ |
| Smiles | COC1=CC(=NC2=CC=CC=C21)/C=C/C3=CC4=C(C=C3)OCO4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Peperomia Pellucida (Plant) Rel Props:Source_db:cmaup_ingredients