1,5-Dihydroxy-3-methoxy-10-methylacridin-9-one
PubChem CID: 14038956
Connections displayed (default: 10).
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| Topological Polar Surface Area | 70.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| 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-3-methoxy-10-methylacridin-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C15H13NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KQCJIRZUDCXEHF-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.82 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.467 |
| Compound Name | 1,5-Dihydroxy-3-methoxy-10-methylacridin-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 | -4.4686864 |
| Inchi | InChI=1S/C15H13NO4/c1-16-10-6-8(20-2)7-12(18)13(10)15(19)9-4-3-5-11(17)14(9)16/h3-7,17-18H,1-2H3 |
| Smiles | CN1C2=C(C(=CC(=C2)OC)O)C(=O)C3=C1C(=CC=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anagallis Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Uncaria Perrottetii (Plant) Rel Props:Source_db:cmaup_ingredients