(2E)-1-(4-hydroxyphenyl)-2-methoxyiminoethanone
PubChem CID: 145960099
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| Compound Synonyms | CHEMBL4159088 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 195.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E)-1-(4-hydroxyphenyl)-2-methoxyiminoethanone |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C9H9NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XOCPEQUPCZNFGR-UXBLZVDNSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -2.767 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.766 |
| Compound Name | (2E)-1-(4-hydroxyphenyl)-2-methoxyiminoethanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 179.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 179.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 179.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.0331234615384615 |
| Inchi | InChI=1S/C9H9NO3/c1-13-10-6-9(12)7-2-4-8(11)5-3-7/h2-6,11H,1H3/b10-6+ |
| Smiles | CO/N=C/C(=O)C1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atalantia Buxifolia (Plant) Rel Props:Source_db:cmaup_ingredients