Ceplene
PubChem CID: 25201573
Connections displayed (default: 10).
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| Compound Synonyms | histaminium, 2-(1H-imidazol-5-yl)ethylazanium, peremin, Ceplene, histaminium cation, 3rxh, 3bu1, CHEBI:58432, DTXSID20984171, 2-(1H-imidazol-4-yl)ethanaminium, 2-(1H-Imidazol-5-yl)ethan-1-aminium, Q27125787 |
|---|---|
| Topological Polar Surface Area | 56.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 64.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1H-imidazol-5-yl)ethylazanium |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Molecular Formula | C5H10N3+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | NTYJJOPFIAHURM-UHFFFAOYSA-O |
| Fcsp3 | 0.4 |
| Logs | 0.981 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.508 |
| Compound Name | Ceplene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 112.087 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 112.087 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 112.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5004671999999999 |
| Inchi | InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/p+1 |
| Smiles | C1=C(NC=N1)CC[NH3+] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chelidonium Majus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Euonymus Grandiflorus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Gossypium Herbaceum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Hypericum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Isodon Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Musa Paradisiaca (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Phytolacca Acinosa (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Solanum Melongena (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Spinacia Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Trifolium Repens (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Urtica Dioica (Plant) Rel Props:Source_db:cmaup_ingredients