2,6-Dimethoxy-4-(1,3-thiazol-5-ylmethyl)phenol
PubChem CID: 132499751
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| Compound Synonyms | CHEMBL4061290 |
|---|---|
| Topological Polar Surface Area | 79.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 228.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethoxy-4-(1,3-thiazol-5-ylmethyl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C12H13NO3S |
| Prediction Swissadme | 0.0 |
| Inchi Key | JQKKUUCEMIOBIH-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.294 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.496 |
| Compound Name | 2,6-Dimethoxy-4-(1,3-thiazol-5-ylmethyl)phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 251.062 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 251.062 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 251.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.187926929411765 |
| Inchi | InChI=1S/C12H13NO3S/c1-15-10-4-8(3-9-6-13-7-17-9)5-11(16-2)12(10)14/h4-7,14H,3H2,1-2H3 |
| Smiles | COC1=CC(=CC(=C1O)OC)CC2=CN=CS2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Peganum Harmala (Plant) Rel Props:Source_db:cmaup_ingredients