2-(5-hydroxy-1H-indol-3-yl)ethylurea
PubChem CID: 70959828
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL13645692 |
|---|---|
| Topological Polar Surface Area | 91.1 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 260.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(5-hydroxy-1H-indol-3-yl)ethylurea |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C11H13N3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AXCJLRRXXSDZTD-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.562 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.613 |
| Compound Name | 2-(5-hydroxy-1H-indol-3-yl)ethylurea |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 219.101 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 219.101 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 219.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2524628 |
| Inchi | InChI=1S/C11H13N3O2/c12-11(16)13-4-3-7-6-14-10-2-1-8(15)5-9(7)10/h1-2,5-6,14-15H,3-4H2,(H3,12,13,16) |
| Smiles | C1=CC2=C(C=C1O)C(=CN2)CCNC(=O)N |
| Nring | 2.0 |
| 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 Haplopappus Venetus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Hesperocyparis Macrocarpa (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Kochia Trichophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Phebalium Ozothamnoides (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Piper Futokadsura (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Potentilla Multifida (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Rhaponticum Carthamoides (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Saururus Cernuus (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Strychnos Fendleri (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Vicia Villosa (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Vitex Megapotamica (Plant) Rel Props:Source_db:cmaup_ingredients