9(10H)-Acridinone, 1-hydroxy-
PubChem CID: 10899903
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| Compound Synonyms | 65582-54-9, 9(10H)-Acridinone, 1-hydroxy-, 1-hydroxyacridone, 1-hydroxy-10H-acridin-9-one, 1-Hydroxyacridin-9(10H)-one, CHEMBL397685, Oxyakridon, 1-HYDROXY-9,10-DIHYDROACRIDIN-9-ONE, SCHEMBL9348524, SCHEMBL19472017, DTXSID10447684, BDBM50371111, AKOS030561569, NS00133080 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC2CCCCC21 |
| Np Classifier Class | Acridone alkaloids |
| Deep Smiles | Occcccc6c=O)cc[nH]6)cccc6 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | OC1C2CCCCC2NC2CCCCC21 |
| Classyfire Subclass | Benzoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-10H-acridin-9-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H9NO2 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2[nH]c2ccccc12 |
| Inchi Key | YZTFXTYKRHQLIU-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1-hydroxyacridone |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cO, c[nH]c |
| Compound Name | 9(10H)-Acridinone, 1-hydroxy- |
| Exact Mass | 211.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 211.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 211.22 |
| 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/C13H9NO2/c15-11-7-3-6-10-12(11)13(16)8-4-1-2-5-9(8)14-10/h1-7,15H,(H,14,16) |
| Smiles | C1=CC=C2C(=C1)C(=O)C3=C(N2)C=CC=C3O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Boenninghausenia Albiflora (Plant) Rel Props:Reference:ISBN:9788185042084; ISBN:9788185042114