2-Acetyl-5-hydroxynaphtho[2,3-b]furan-4,9-dione
PubChem CID: 10015259
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| Compound Synonyms | 2-acetyl-5-hydroxynaphtho[2,3-b]furan-4,9-dione, 87549-97-1, CHEMBL611361, 2-acetyl-5-hydroxybenzo(f)(1)benzofuran-4,9-dione, 2-acetyl-5-hydroxybenzo[f][1]benzofuran-4,9-dione, 2-Acetyl-5-hydroxynaphtho(2,3-b)furan-4,9-dione, SCHEMBL1450113, RABXYJBFTPBKKL-UHFFFAOYSA-N, DTXSID301242535, BDBM50541368, SY363467 |
|---|---|
| Topological Polar Surface Area | 84.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 443.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P40763 |
| Iupac Name | 2-acetyl-5-hydroxybenzo[f][1]benzofuran-4,9-dione |
| Prediction Hob | 1.0 |
| Target Id | NPT38 |
| Xlogp | 2.5 |
| Molecular Formula | C14H8O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RABXYJBFTPBKKL-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -4.263 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.345 |
| Compound Name | 2-Acetyl-5-hydroxynaphtho[2,3-b]furan-4,9-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.037 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 256.209 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.353341652631579 |
| Inchi | InChI=1S/C14H8O5/c1-6(15)10-5-8-12(17)11-7(3-2-4-9(11)16)13(18)14(8)19-10/h2-5,16H,1H3 |
| Smiles | CC(=O)C1=CC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tabebuia Avellanedae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all