1,5-Dihydroxy-4-methoxy-3-methyl-10H-acridin-9-one
PubChem CID: 5496158
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| Compound Synonyms | 1,5-Dihydroxy-4-methoxy-3-methyl-10H-acridin-9-one |
|---|---|
| Topological Polar Surface Area | 78.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 388.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5-dihydroxy-4-methoxy-3-methyl-10H-acridin-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C15H13NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CTKDQQDNZKBRCE-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -4.53 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.907 |
| Compound Name | 1,5-Dihydroxy-4-methoxy-3-methyl-10H-acridin-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 271.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 271.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 271.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.733286399999999 |
| Inchi | InChI=1S/C15H13NO4/c1-7-6-10(18)11-13(15(7)20-2)16-12-8(14(11)19)4-3-5-9(12)17/h3-6,17-18H,1-2H3,(H,16,19) |
| Smiles | CC1=CC(=C2C(=C1OC)NC3=C(C2=O)C=CC=C3O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atalantia Buxifolia (Plant) Rel Props:Source_db:cmaup_ingredients