Begonanline
PubChem CID: 21577086
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| Compound Synonyms | Begonanline, AQBMUDSXEXXARY-UHFFFAOYSA-, methyl 6-hydroxy-9H-pyrido[3,4-b]indole-1-carboxylate, InChI=1/C13H10N2O3/c1-18-13(17)12-11-8(4-5-14-12)9-6-7(16)2-3-10(9)15-11/h2-6,15-16H,1H3 |
|---|---|
| Topological Polar Surface Area | 75.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 6-hydroxy-9H-pyrido[3,4-b]indole-1-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C13H10N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AQBMUDSXEXXARY-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -3.252 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.689 |
| Compound Name | Begonanline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.069 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 242.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0987952444444447 |
| Inchi | InChI=1S/C13H10N2O3/c1-18-13(17)12-11-8(4-5-14-12)9-6-7(16)2-3-10(9)15-11/h2-6,15-16H,1H3 |
| Smiles | COC(=O)C1=NC=CC2=C1NC3=C2C=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Begonia Nantoensis (Plant) Rel Props:Source_db:cmaup_ingredients