Naphtho(2,3-b)furan-4,9-dione
PubChem CID: 79740
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Naphtho[2,3-b]furan-4,9-dione, benzo[f][1]benzofuran-4,9-dione, 5656-82-6, Avicequinone-B, Naphtho(2,3-b)furan-4,9-dione, DTXSID00205114, Furan, 2,3-(1,2-phenylenedicarbonyl)-, Npf-4,9-dione, benzo(f)(1)benzofuran-4,9-dione, Avicequinone B, SCHEMBL28782, CHEMBL62539, DTXCID00127605, 4H,9H-NAPHTHO[2,3-B]FURAN-4,9-DIONE |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 47.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2C(C)C2CCCC12 |
| Np Classifier Class | Naphthoquinones |
| Deep Smiles | O=Ccccccc6C=O)cc%10occ5 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Naphthofurans |
| Scaffold Graph Node Level | OC1C2CCCCC2C(O)C2OCCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 310.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | benzo[f][1]benzofuran-4,9-dione |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H6O3 |
| Scaffold Graph Node Bond Level | O=C1c2ccccc2C(=O)c2occc21 |
| Inchi Key | QMKMOPXRLXYBLI-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | naphtho-[2,3-b]-furan-4-,9-dione |
| Esol Class | Soluble |
| Functional Groups | cC(c)=O, coc |
| Compound Name | Naphtho(2,3-b)furan-4,9-dione |
| Exact Mass | 198.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.032 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 198.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H6O3/c13-10-7-3-1-2-4-8(7)11(14)12-9(10)5-6-15-12/h1-6H |
| Smiles | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC=C3 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Naphthalenes |
- 1. Outgoing r'ship
FOUND_INto/from Handroanthus Impetiginosus (Plant) Rel Props:Reference:ISBN:9788172363093