Sym-homospermidinium(3+)
PubChem CID: 25245489
Connections displayed (default: 10).
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| Compound Synonyms | sym-homospermidinium(3+), bis(4-azaniumylbutyl)azanium, sym-homospermidinium trication, CHEBI:57811, N-(4-azaniumylbutyl)butane-1,4-bis(aminium), Q27124964 |
|---|---|
| Topological Polar Surface Area | 71.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 58.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | bis(4-azaniumylbutyl)azanium |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Molecular Formula | C8H24N3+3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UODZHRGDSPLRMD-UHFFFAOYSA-Q |
| Fcsp3 | 1.0 |
| Logs | 0.878 |
| Rotatable Bond Count | 8.0 |
| Logd | -2.045 |
| Compound Name | Sym-homospermidinium(3+) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.197 |
| Formal Charge | 3.0 |
| Monoisotopic Mass | 162.197 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 162.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.09753380000000023 |
| Inchi | InChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2/p+3 |
| Smiles | C(CC[NH2+]CCCC[NH3+])C[NH3+] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Astragalus Sinicus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Canavalia Gladiata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Eichhornia Crassipes (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Eucalyptus Globulus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Polygonatum Cyrtonema (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Salvia Trijuga (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Source_db:cmaup_ingredients