(2S)-2-amino-1-((1,2,3,4,5,6-14C6)cyclohexatrienyl)propan-1-ol
PubChem CID: 10080695
Connections displayed (default: 10).
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| Topological Polar Surface Area | 46.3 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 6.0 |
| Molecular Complexity | 110.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-amino-1-((1,2,3,4,5,6-14C6)cyclohexatrienyl)propan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C9H13NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | DLNKOYKMWOXYQA-DIQCGLEQSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -0.83 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.984 |
| Compound Name | (2S)-2-amino-1-((1,2,3,4,5,6-14C6)cyclohexatrienyl)propan-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 163.119 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 163.119 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 163.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6461435656643635 |
| Inchi | InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9?/m0/s1/i2+2,3+2,4+2,5+2,6+2,8+2 |
| Smiles | C[C@@H](C([14C]1=[14CH][14CH]=[14CH][14CH]=[14CH]1)O)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ephedra Distachya (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ephedra Gerardiana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ephedra Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Ephedra Lepidosperma (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Ephedra Likiangensis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Ephedra Minuta (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Ephedra Monosperma (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Ephedra Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Ephedra Regeliana (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Ephedra Saxatilis (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients