2-Hexyl-5-hydroxy-7-methoxychromen-4-one
PubChem CID: 163074689
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 55.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hexyl-5-hydroxy-7-methoxychromen-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Is Pains | False |
| Molecular Formula | C16H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JNHVWACAXZPGJO-UHFFFAOYSA-N |
| Fcsp3 | 0.4375 |
| Rotatable Bond Count | 6.0 |
| Compound Name | 2-Hexyl-5-hydroxy-7-methoxychromen-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 276.136 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 276.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 276.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8645584 |
| Inchi | InChI=1S/C16H20O4/c1-3-4-5-6-7-11-8-13(17)16-14(18)9-12(19-2)10-15(16)20-11/h8-10,18H,3-7H2,1-2H3 |
| Smiles | CCCCCCC1=CC(=O)C2=C(C=C(C=C2O1)OC)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angylocalyx Pynaertii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Clitoria Ternatea (Plant) Rel Props:Source_db:cmaup_ingredients