(-)-Epoformin
PubChem CID: 10057579
Connections displayed (default: 10).
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| Compound Synonyms | (-)-Epoformin, CHEMBL2332883, SCHEMBL13508829 |
|---|---|
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 219.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,5S,6S)-5-hydroxy-3-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.4 |
| Molecular Formula | C7H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WCZPXJJNPSYRIV-JSKYLQRQSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -1.1 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.972 |
| Compound Name | (-)-Epoformin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 140.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 140.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.4694556 |
| Inchi | InChI=1S/C7H8O3/c1-3-2-4(8)6-7(10-6)5(3)9/h2,4,6-8H,1H3/t4-,6-,7+/m0/s1 |
| Smiles | CC1=C[C@@H]([C@H]2[C@@H](C1=O)O2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cedrus Deodara (Plant) Rel Props:Source_db:cmaup_ingredients