Flavasperone, 10-demethyl-
PubChem CID: 5465365
Connections displayed (default: 10).
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| Compound Synonyms | NSC646850, Flavasperone, 10-demethyl-, NSC-646850, 5,10-dihydroxy-8-methoxy-2-methyl-benzo[h]chromen-4-one, 5,10-Dihydroxy-8-methoxy-2-methyl-4H-benzo[h]chromen-4-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 432.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,10-dihydroxy-8-methoxy-2-methylbenzo[h]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C15H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FAONUQZIWJCFMJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.723 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.905 |
| Compound Name | Flavasperone, 10-demethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 272.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3596871999999998 |
| Inchi | InChI=1S/C15H12O5/c1-7-3-10(16)14-11(17)5-8-4-9(19-2)6-12(18)13(8)15(14)20-7/h3-6,17-18H,1-2H3 |
| Smiles | CC1=CC(=O)C2=C(O1)C3=C(C=C(C=C3C=C2O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Wikstroemia Monticola (Plant) Rel Props:Source_db:cmaup_ingredients