N-(4-hydroxy-3-methoxybenzylidene)-2-(4-hydroxyphenyl)ethanamine
PubChem CID: 137185677
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| Compound Synonyms | N-(4-hydroxy-3-methoxybenzylidene)-2-(4-hydroxyphenyl)ethanamine |
|---|---|
| Topological Polar Surface Area | 62.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 300.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2-(4-hydroxyphenyl)ethyliminomethyl]-2-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C16H17NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VHUINYRVPRWTFR-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.118 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.768 |
| Compound Name | N-(4-hydroxy-3-methoxybenzylidene)-2-(4-hydroxyphenyl)ethanamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 271.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 271.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 271.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4757591999999997 |
| Inchi | InChI=1S/C16H17NO3/c1-20-16-10-13(4-7-15(16)19)11-17-9-8-12-2-5-14(18)6-3-12/h2-7,10-11,18-19H,8-9H2,1H3 |
| Smiles | COC1=C(C=CC(=C1)C=NCCC2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Juncea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atriplex Parvifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Crinum Asiaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Crotalaria Crispata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Eupatorium Laevigatum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Haplopappus Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Hesperocyparis Arizonica (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Viburnum Lantana (Plant) Rel Props:Source_db:cmaup_ingredients