Rutaecarpine HCl
PubChem CID: 49797561
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| Compound Synonyms | Rutaecarpine HCl, CHEMBL463128 |
|---|---|
| Topological Polar Surface Area | 48.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 516.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one, hydrochloride |
| Prediction Hob | 1.0 |
| Molecular Formula | C18H14ClN3O |
| Prediction Swissadme | 0.0 |
| Inchi Key | GITIMDOKQKGPRB-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -5.597 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.501 |
| Compound Name | Rutaecarpine HCl |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 323.083 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 323.083 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 323.8 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.476458947826087 |
| Inchi | InChI=1S/C18H13N3O.ClH/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16, /h1-8,19H,9-10H2, 1H |
| Smiles | C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=CC=CC=C5N4.Cl |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients