(1S,2S)-(+)-norpseudoephedrine
PubChem CID: 6918945
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| Compound Synonyms | (1S,2S)-(+)-norpseudoephedrine, (1S,2S)-norpseudoephedrine |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 110.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C9H14NO+ |
| Prediction Swissadme | 1.0 |
| Inchi Key | DLNKOYKMWOXYQA-IONNQARKSA-O |
| Fcsp3 | 0.3333333333333333 |
| Logs | -0.798 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.137 |
| Compound Name | (1S,2S)-(+)-norpseudoephedrine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 152.108 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 152.108 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5782817636363633 |
| Inchi | InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/p+1/t7-,9+/m0/s1 |
| Smiles | C[C@@H]([C@H](C1=CC=CC=C1)O)[NH3+] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ephedra Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Lycoris Radiata (Plant) Rel Props:Source_db:cmaup_ingredients