5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium
PubChem CID: 5288156
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| Compound Synonyms | 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium, Q63390513 |
|---|---|
| Topological Polar Surface Area | 29.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 342.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium |
| Prediction Hob | 0.0 |
| Xlogp | 5.0 |
| Molecular Formula | C17H15N2+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | CTSPAMFJBXKSOY-UHFFFAOYSA-O |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.172 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.946 |
| Compound Name | 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 247.124 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 247.124 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 247.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.172895463157896 |
| Inchi | InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3/p+1 |
| Smiles | CC1=C2C=C[NH+]=CC2=C(C3=C1NC4=CC=CC=C43)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agrimonia Pilosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aspidosperma Subincanum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Euphorbia Hirta (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Geranium Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Lythrum Salicaria (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Ochrosia Elliptica (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Platycarya Strobilacea (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients