5-Methoxy-2,2,11-trimethylpyrano[3,2-b]acridin-6-one
PubChem CID: 11381647
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| Topological Polar Surface Area | 38.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 543.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-2,2,11-trimethylpyrano[3,2-b]acridin-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C20H19NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZTKMNYDOFAYRAK-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.295 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.755 |
| Compound Name | 5-Methoxy-2,2,11-trimethylpyrano[3,2-b]acridin-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 321.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 321.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 321.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.379697866666667 |
| Inchi | InChI=1S/C20H19NO3/c1-20(2)10-9-13-16(24-20)11-15-17(19(13)23-4)18(22)12-7-5-6-8-14(12)21(15)3/h5-11H,1-4H3 |
| Smiles | CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=O)C4=CC=CC=C4N3C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Limonium Bicolor (Plant) Rel Props:Source_db:cmaup_ingredients