7-Hydroxy-1-methyl-2-(3-oxobutyl)anthracene-9,10-dione
PubChem CID: 5319342
Connections displayed (default: 10).
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| Topological Polar Surface Area | 71.4 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 511.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-1-methyl-2-(3-oxobutyl)anthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C19H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZXMFLWCLJYELEM-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -1.548 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.218 |
| Compound Name | 7-Hydroxy-1-methyl-2-(3-oxobutyl)anthracene-9,10-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 308.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.69745155652174 |
| Inchi | InChI=1S/C19H16O4/c1-10(20)3-4-12-5-7-15-17(11(12)2)19(23)16-9-13(21)6-8-14(16)18(15)22/h5-9,21H,3-4H2,1-2H3 |
| Smiles | CC1=C(C=CC2=C1C(=O)C3=C(C2=O)C=CC(=C3)O)CCC(=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stereospermum Kunthianum (Plant) Rel Props:Source_db:cmaup_ingredients