(6aS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol
PubChem CID: 44135406
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| Compound Synonyms | (6aS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol |
|---|---|
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 415.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6aS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UWHUTZOCTZJUKC-OEMAIJDKSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.965 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.054 |
| Compound Name | (6aS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 286.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.014311742857142 |
| Inchi | InChI=1S/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,15,17-20H,6-7H2/t15?,16-/m1/s1 |
| Smiles | C1C2=CC(=C(C=C2C3[C@@]1(COC4=C3C=CC(=C4)O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Biancaea Sappan (Plant) Rel Props:Source_db:cmaup_ingredients