4-[(E)-3-methyl-4-(3-prop-1-en-2-yloxiran-2-yl)but-2-enoxy]furo[3,2-g]chromen-7-one
PubChem CID: 5319014
Connections displayed (default: 10).
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| Topological Polar Surface Area | 61.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 636.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(E)-3-methyl-4-(3-prop-1-en-2-yloxiran-2-yl)but-2-enoxy]furo[3,2-g]chromen-7-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Is Pains | False |
| Molecular Formula | C21H20O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RHKSSBBUZBOFLR-AWNIVKPZSA-N |
| Fcsp3 | 0.2857142857142857 |
| Rotatable Bond Count | 6.0 |
| Compound Name | 4-[(E)-3-methyl-4-(3-prop-1-en-2-yloxiran-2-yl)but-2-enoxy]furo[3,2-g]chromen-7-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 352.131 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 352.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 352.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.876193200000001 |
| Inchi | InChI=1S/C21H20O5/c1-12(2)20-18(26-20)10-13(3)6-8-24-21-14-4-5-19(22)25-17(14)11-16-15(21)7-9-23-16/h4-7,9,11,18,20H,1,8,10H2,2-3H3/b13-6+ |
| Smiles | CC(=C)C1C(O1)C/C(=C/COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)/C |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients