(E)-N-[2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide
PubChem CID: 101059288
Connections displayed (default: 10).
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| Topological Polar Surface Area | 101.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 558.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-N-[2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C17H23NO5S |
| Prediction Swissadme | 1.0 |
| Inchi Key | YJDWFOYXEJUGOR-DHZHZOJOSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -3.372 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.105 |
| Compound Name | (E)-N-[2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 353.13 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 353.13 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 353.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.2318280000000006 |
| Inchi | InChI=1S/C17H23NO5S/c1-13(2)7-10-23-16-5-4-14(12-15(16)19)6-9-18-17(20)8-11-24(3,21)22/h4-5,7-8,11-12,19H,6,9-10H2,1-3H3,(H,18,20)/b11-8+ |
| Smiles | CC(=CCOC1=C(C=C(C=C1)CCNC(=O)/C=C/S(=O)(=O)C)O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycosmis Chlorosperma (Plant) Rel Props:Source_db:cmaup_ingredients