(1R)-2-(dimethylamino)-1-naphtho[2,1-g][1,3]benzodioxol-5-ylethanol
PubChem CID: 162988070
Connections displayed (default: 10).
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| Topological Polar Surface Area | 41.9 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 415.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1R)-2-(dimethylamino)-1-naphtho[2,1-g][1,3]benzodioxol-5-ylethanol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C19H19NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZWKNRTYDZIWZBH-INIZCTEOSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -4.397 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.989 |
| Compound Name | (1R)-2-(dimethylamino)-1-naphtho[2,1-g][1,3]benzodioxol-5-ylethanol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 309.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 309.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 309.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.165097782608696 |
| Inchi | InChI=1S/C19H19NO3/c1-20(2)10-16(21)15-9-17-19(23-11-22-17)18-13-6-4-3-5-12(13)7-8-14(15)18/h3-9,16,21H,10-11H2,1-2H3/t16-/m0/s1 |
| Smiles | CN(C)C[C@@H](C1=CC2=C(C3=C1C=CC4=CC=CC=C43)OCO2)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acronychia Muelleri (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Anaxagorea Luzonensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Argyreia Nervosa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Carapichea Ipecacuanha (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Croton Regelianus (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Erythrina Chiriquensis (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Lathyrus Aphaca (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Melianthus Major (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Phelipanche Arenaria (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Phoradendron Reichenbachianum (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Stephania Tetrandra (Plant) Rel Props:Source_db:cmaup_ingredients