siamchromones C
PubChem CID: 71458781
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| Compound Synonyms | siamchromones C, CHEMBL2164960 |
|---|---|
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 428.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-hydroxypropyl)-7-methoxy-5-(2-oxopropyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C16H18O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PZHWUCHRVNGHJU-UHFFFAOYSA-N |
| Fcsp3 | 0.375 |
| Logs | -2.337 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.274 |
| Compound Name | siamchromones C |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 290.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 290.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7790339523809524 |
| Inchi | InChI=1S/C16H18O5/c1-10(18)6-11-7-13(20-2)9-15-16(11)14(19)8-12(21-15)4-3-5-17/h7-9,17H,3-6H2,1-2H3 |
| Smiles | CC(=O)CC1=C2C(=CC(=C1)OC)OC(=CC2=O)CCCO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Senna Siamea (Plant) Rel Props:Source_db:cmaup_ingredients