Cathinone, (+)-
PubChem CID: 149798
Connections displayed (default: 10).
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| Compound Synonyms | (+)-Cathinone, Cathinone, (+)-, 80096-54-4, 1-Propanone, 2-amino-1-phenyl-, (R)-, UNII-93UQ761V5A, (R)-(+)-Cathinone, BRN 5247016, 93UQ761V5A, 1-Propanone, 2-amino-1-phenyl-, (2R)-, (R)-CATHINONE, DTXSID90230076, CHEMBL3301840, SCHEMBL20095234, DTXCID90152567, Q27271614 |
|---|---|
| Topological Polar Surface Area | 43.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 138.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-amino-1-phenylpropan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C9H11NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | PUAQLLVFLMYYJJ-SSDOTTSWSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -1.1 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.605 |
| Compound Name | Cathinone, (+)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 149.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 149.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 149.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7296329636363634 |
| Inchi | InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3/t7-/m1/s1 |
| Smiles | C[C@H](C(=O)C1=CC=CC=C1)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Catha Edulis (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 Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Maytenus Krukovii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Veronica Longifolia (Plant) Rel Props:Source_db:cmaup_ingredients