3-Ethenyl-6,7-dihydroindolo[2,3-a]quinolizine-2-carboxylic acid
PubChem CID: 163192469
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| Topological Polar Surface Area | 52.9 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 829.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethenyl-6,7-dihydroindolo[2,3-a]quinolizine-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C18H14N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZEVLMKRBFHJUPC-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -3.703 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.338 |
| Compound Name | 3-Ethenyl-6,7-dihydroindolo[2,3-a]quinolizine-2-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.106 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 290.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.568314581818182 |
| Inchi | InChI=1S/C18H14N2O2/c1-2-11-10-20-8-7-13-12-5-3-4-6-15(12)19-17(13)16(20)9-14(11)18(21)22/h2-6,9-10H,1,7-8H2,(H,21,22) |
| Smiles | C=CC1=CN2CCC3=C4C=CC=CC4=NC3=C2C=C1C(=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gynura Elliptica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ruta Oreojasme (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Vinca Major (Plant) Rel Props:Source_db:cmaup_ingredients