(E)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
PubChem CID: 15098803
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| Compound Synonyms | CHEMBL2377597, AKOS008687461 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C18H16Cl2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CHHFOXLSIHVHPS-FNORWQNLSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -6.073 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.654 |
| Compound Name | (E)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 366.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.043 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 367.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.1526136000000005 |
| Inchi | InChI=1S/C18H16Cl2O4/c1-22-16-9-12(10-17(23-2)18(16)24-3)15(21)7-5-11-4-6-13(19)14(20)8-11/h4-10H,1-3H3/b7-5+ |
| Smiles | COC1=CC(=CC(=C1OC)OC)C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Spatholobus Suberectus (Plant) Rel Props:Source_db:cmaup_ingredients