1-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-1-methylurea
PubChem CID: 162945066
Connections displayed (default: 10).
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| Topological Polar Surface Area | 86.8 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 215.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 1-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-1-methylurea |
| Prediction Hob | 1.0 |
| Xlogp | -0.4 |
| Molecular Formula | C10H14N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AZQATTFIIPTQIE-VIFPVBQESA-N |
| Fcsp3 | 0.3 |
| Logs | -2.378 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.187 |
| Compound Name | 1-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-1-methylurea |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 210.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.1 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 210.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4148446 |
| Inchi | InChI=1S/C10H14N2O3/c1-12(10(11)15)6-9(14)7-2-4-8(13)5-3-7/h2-5,9,13-14H,6H2,1H3,(H2,11,15)/t9-/m0/s1 |
| Smiles | CN(C[C@@H](C1=CC=C(C=C1)O)O)C(=O)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Oranensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aruncus Dioicus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Buxus Sempervirens (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Cabucala Madagascariensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Centaurea Amara (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Dysoxylum Lenticellatum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Halimeda Macroloba (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Hesperocyparis Macrocarpa (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Kochia Trichophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Phebalium Ozothamnoides (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Piper Futokadsura (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Potentilla Multifida (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Rhaponticum Carthamoides (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Saururus Cernuus (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Vicia Villosa (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Vitex Megapotamica (Plant) Rel Props:Source_db:cmaup_ingredients