Isotorachrysone peracetate
PubChem CID: 10520436
Connections displayed (default: 10).
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| Compound Synonyms | isotorachrysone peracetate, CHEMBL455376 |
|---|---|
| Topological Polar Surface Area | 78.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 502.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (6-acetyl-5-acetyloxy-4-methoxy-7-methylnaphthalen-2-yl) acetate |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C18H18O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GXAOBNBMYYIETJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -3.955 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.018 |
| Compound Name | Isotorachrysone peracetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 330.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 330.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.501416533333334 |
| Inchi | InChI=1S/C18H18O6/c1-9-6-13-7-14(23-11(3)20)8-15(22-5)17(13)18(24-12(4)21)16(9)10(2)19/h6-8H,1-5H3 |
| Smiles | CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)OC(=O)C)OC)OC(=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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