(E)-4-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]but-3-enoic acid
PubChem CID: 155521245
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| Compound Synonyms | CHEMBL4450330 |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 397.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-4-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]but-3-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C17H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KDFWMIACTOKCDP-YYIFBIRTSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.078 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.54 |
| Compound Name | (E)-4-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]but-3-enoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 282.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.9162861428571416 |
| Inchi | InChI=1S/C17H14O4/c18-15-7-2-12(3-8-15)1-6-14(17(20)21)11-13-4-9-16(19)10-5-13/h1-11,18-19H,(H,20,21)/b6-1+,14-11? |
| Smiles | C1=CC(=CC=C1/C=C/C(=CC2=CC=C(C=C2)O)C(=O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oenanthe Javanica (Plant) Rel Props:Source_db:cmaup_ingredients