2-(3,5-Dibromo-1-hydroxy-4,4-dimethoxycyclohexa-2,5-dien-1-yl)acetamide
PubChem CID: 23425612
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| Topological Polar Surface Area | 81.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 366.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,5-dibromo-1-hydroxy-4,4-dimethoxycyclohexa-2,5-dien-1-yl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C10H13Br2NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RMXCQNYOZAQNNT-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.178 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.107 |
| Compound Name | 2-(3,5-Dibromo-1-hydroxy-4,4-dimethoxycyclohexa-2,5-dien-1-yl)acetamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 370.919 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.921 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 371.02 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5252550000000005 |
| Inchi | InChI=1S/C10H13Br2NO4/c1-16-10(17-2)6(11)3-9(15,4-7(10)12)5-8(13)14/h3-4,15H,5H2,1-2H3,(H2,13,14) |
| Smiles | COC1(C(=CC(C=C1Br)(CC(=O)N)O)Br)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhododendron Arboreum (Plant) Rel Props:Source_db:cmaup_ingredients