9-Methyl-4-(3-methylbut-2-enyl)furo[3,2-g]chromen-7-one
PubChem CID: 162973837
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| Topological Polar Surface Area | 39.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 447.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methyl-4-(3-methylbut-2-enyl)furo[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C17H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GGSXUZDQHIZYGB-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -6.164 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.706 |
| Compound Name | 9-Methyl-4-(3-methylbut-2-enyl)furo[3,2-g]chromen-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 268.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6858343999999996 |
| Inchi | InChI=1S/C17H16O3/c1-10(2)4-5-12-13-6-7-15(18)20-17(13)11(3)16-14(12)8-9-19-16/h4,6-9H,5H2,1-3H3 |
| Smiles | CC1=C2C(=C(C3=C1OC=C3)CC=C(C)C)C=CC(=O)O2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients