8-Hydroxy-5-(5-hydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione
PubChem CID: 5320076
Connections displayed (default: 10).
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| Topological Polar Surface Area | 109.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 808.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxy-5-(5-hydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C22H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VAXTVWFPVRQSJK-UHFFFAOYSA-N |
| Fcsp3 | 0.0909090909090909 |
| Logs | -7.02 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.441 |
| Compound Name | 8-Hydroxy-5-(5-hydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 374.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 374.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.762000457142857 |
| Inchi | InChI=1S/C22H14O6/c1-9-5-11-19(15(25)6-9)17(27)8-12(22(11)28)18-10(2)7-16(26)20-13(23)3-4-14(24)21(18)20/h3-8,25-26H,1-2H3 |
| Smiles | CC1=CC2=C(C(=C1)O)C(=O)C=C(C2=O)C3=C4C(=O)C=CC(=O)C4=C(C=C3C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Diospyros Kaki (Plant) Rel Props:Source_db:cmaup_ingredients