(5S)-5-hydroxy-1-(4-hydroxyphenyl)-7-phenylheptan-3-one
PubChem CID: 54577336
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL1824570 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 315.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-5-hydroxy-1-(4-hydroxyphenyl)-7-phenylheptan-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C19H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NKSWRYBLSIGGIU-SFHVURJKSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -3.174 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.89 |
| Compound Name | (5S)-5-hydroxy-1-(4-hydroxyphenyl)-7-phenylheptan-3-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 298.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 298.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.524904763636364 |
| Inchi | InChI=1S/C19H22O3/c20-17-10-6-16(7-11-17)9-13-19(22)14-18(21)12-8-15-4-2-1-3-5-15/h1-7,10-11,18,20-21H,8-9,12-14H2/t18-/m0/s1 |
| Smiles | C1=CC=C(C=C1)CC[C@@H](CC(=O)CCC2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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