2-[9-(4-Hydroxyphenyl)nonyl]benzene-1,3-diol
PubChem CID: 44576027
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL484655 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 302.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[9-(4-hydroxyphenyl)nonyl]benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 6.9 |
| Molecular Formula | C21H28O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GJRGOZGOAXXZFQ-UHFFFAOYSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -3.216 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.16 |
| Compound Name | 2-[9-(4-Hydroxyphenyl)nonyl]benzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 328.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.9082023999999995 |
| Inchi | InChI=1S/C21H28O3/c22-18-15-13-17(14-16-18)9-6-4-2-1-3-5-7-10-19-20(23)11-8-12-21(19)24/h8,11-16,22-24H,1-7,9-10H2 |
| Smiles | C1=CC(=C(C(=C1)O)CCCCCCCCCC2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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