p-Methoxy-cis-cinnamoyl dopamine
PubChem CID: 129848160
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| Compound Synonyms | p-methoxy-cis-cinnamoyl dopamine |
|---|---|
| Topological Polar Surface Area | 78.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C18H19NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MLKAIKGTPHYWOJ-UITAMQMPSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.237 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.876 |
| Compound Name | p-Methoxy-cis-cinnamoyl dopamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 313.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 313.131 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 313.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.7888755565217394 |
| Inchi | InChI=1S/C18H19NO4/c1-23-15-6-2-13(3-7-15)5-9-18(22)19-11-10-14-4-8-16(20)17(21)12-14/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5- |
| Smiles | COC1=CC=C(C=C1)/C=C\C(=O)NCCC2=CC(=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients