Khrinone D
PubChem CID: 44613794
Connections displayed (default: 10).
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| Compound Synonyms | khrinone D, CHEMBL1079792, 5,7-dihydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)chromen-4-one, 1201493-83-5 |
|---|---|
| Topological Polar Surface Area | 94.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 533.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C17H12O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YCXPVHYOMBNKEI-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.019 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.823 |
| Compound Name | Khrinone D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.058 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 328.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5092445333333333 |
| Inchi | InChI=1S/C17H12O7/c1-21-12-5-14-13(23-7-24-14)4-9(12)10-6-22-15-3-8(18)2-11(19)16(15)17(10)20/h2-6,18-19H,7H2,1H3 |
| Smiles | COC1=CC2=C(C=C1C3=COC4=CC(=CC(=C4C3=O)O)O)OCO2 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
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