siamchromones D
PubChem CID: 71449767
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| Compound Synonyms | siamchromones D, CHEMBL2164961 |
|---|---|
| Topological Polar Surface Area | 78.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 524.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[7-methoxy-4-oxo-5-(2-oxopropyl)chromen-2-yl]propyl acetate |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C18H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LUVCIHKKQCPFQB-UHFFFAOYSA-N |
| Fcsp3 | 0.3888888888888889 |
| Logs | -3.078 |
| Rotatable Bond Count | 8.0 |
| Logd | 1.939 |
| Compound Name | siamchromones D |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 332.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 332.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2227157333333327 |
| Inchi | InChI=1S/C18H20O6/c1-11(19)7-13-8-15(22-3)10-17-18(13)16(21)9-14(24-17)5-4-6-23-12(2)20/h8-10H,4-7H2,1-3H3 |
| Smiles | CC(=O)CC1=C2C(=CC(=C1)OC)OC(=CC2=O)CCCOC(=O)C |
| 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