2-[3-(3,4-Dihydroxyphenyl)propyl]benzene-1,3,5-triol
PubChem CID: 59539036
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| Topological Polar Surface Area | 101.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[3-(3,4-dihydroxyphenyl)propyl]benzene-1,3,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C15H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NSKMWMYACHYOQD-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.59 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.516 |
| Compound Name | 2-[3-(3,4-Dihydroxyphenyl)propyl]benzene-1,3,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 276.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 276.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4780856 |
| Inchi | InChI=1S/C15H16O5/c16-10-7-13(18)11(14(19)8-10)3-1-2-9-4-5-12(17)15(20)6-9/h4-8,16-20H,1-3H2 |
| Smiles | C1=CC(=C(C=C1CCCC2=C(C=C(C=C2O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sapindus Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients