Cotarmine
PubChem CID: 522786
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| Compound Synonyms | Cotarmine |
|---|---|
| Topological Polar Surface Area | 31.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 305.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium, hydroxide |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Is Pains | False |
| Molecular Formula | C12H15NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YORDULPZQLJYQL-UHFFFAOYSA-M |
| Fcsp3 | 0.4166666666666667 |
| Rotatable Bond Count | 1.0 |
| Compound Name | Cotarmine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 237.1 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 237.1 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 237.25 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4369809999999996 |
| Inchi | InChI=1S/C12H14NO3.H2O/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13, /h5-6H,3-4,7H2,1-2H3, 1H2/q+1, /p-1 |
| Smiles | C[N+]1=CC2=C(C3=C(C=C2CC1)OCO3)OC.[OH-] |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients