(2R)-5-hydroxy-11-methyl-2-[(2R)-2-methyloxiran-2-yl]-1,2-dihydrofuro[2,3-c]acridin-6-one
PubChem CID: 11573353
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 62.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 553.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R)-5-hydroxy-11-methyl-2-[(2R)-2-methyloxiran-2-yl]-1,2-dihydrofuro[2,3-c]acridin-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C19H17NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YXQGLAPCZDYVLL-DNVCBOLYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -5.137 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.439 |
| Compound Name | (2R)-5-hydroxy-11-methyl-2-[(2R)-2-methyloxiran-2-yl]-1,2-dihydrofuro[2,3-c]acridin-6-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 323.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 323.116 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 323.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.919424266666668 |
| Inchi | InChI=1S/C19H17NO4/c1-19(9-23-19)15-7-11-14(24-15)8-13(21)16-17(11)20(2)12-6-4-3-5-10(12)18(16)22/h3-6,8,15,21H,7,9H2,1-2H3/t15-,19-/m1/s1 |
| Smiles | C[C@@]1(CO1)[C@H]2CC3=C(O2)C=C(C4=C3N(C5=CC=CC=C5C4=O)C)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients