Naphthopyrone
PubChem CID: 12486890
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| Compound Synonyms | naphthopyrone, 5,6-Benzochromone, SCHEMBL486181, AKOS002211505 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2CCC3CCCCC3C12 |
| Np Classifier Class | Chromones |
| Deep Smiles | O=cccocc6cccccc6cc%10 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Naphthopyrans |
| Scaffold Graph Node Level | OC1CCOC2CCC3CCCCC3C12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 295.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | benzo[f]chromen-1-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H8O2 |
| Scaffold Graph Node Bond Level | O=c1ccoc2ccc3ccccc3c12 |
| Inchi Key | JEUUNKOFKDUVMN-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | naphthopyrone |
| Esol Class | Soluble |
| Functional Groups | c=O, coc |
| Compound Name | Naphthopyrone |
| Exact Mass | 196.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 196.2 |
| 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/C13H8O2/c14-11-7-8-15-12-6-5-9-3-1-2-4-10(9)13(11)12/h1-8H |
| Smiles | C1=CC=C2C(=C1)C=CC3=C2C(=O)C=CO3 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Chromanes |
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