Ornithinium(1+)
PubChem CID: 3350920
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | ornithinium(1+), Q27120726 |
|---|---|
| Topological Polar Surface Area | 91.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 95.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4-amino-4-carboxybutyl)azanium |
| Prediction Hob | 1.0 |
| Xlogp | -4.4 |
| Molecular Formula | C5H13N2O2+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | AHLPHDHHMVZTML-UHFFFAOYSA-O |
| Fcsp3 | 0.8 |
| Logs | -0.354 |
| Rotatable Bond Count | 4.0 |
| Logd | -1.786 |
| Compound Name | Ornithinium(1+) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 133.098 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 133.098 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 133.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.3766398000000004 |
| Inchi | InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+1 |
| Smiles | C(CC(C(=O)O)N)C[NH3+] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ageratum Conyzoides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Changium Smyrnioides (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ormosia Hosiei (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Orobanche Coerulescens (Plant) Rel Props:Source_db:cmaup_ingredients