2-Cyclohexen-1-one, 3-phenyl-, oxime
PubChem CID: 9577267
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| Compound Synonyms | 2-Cyclohexen-1-one, 3-phenyl-, oxime, 88141-37-1 |
|---|---|
| Topological Polar Surface Area | 32.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 249.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (NE)-N-(3-phenylcyclohex-2-en-1-ylidene)hydroxylamine |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C12H13NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | QSMFHIJSESUHFA-OUKQBFOZSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.273 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.553 |
| Compound Name | 2-Cyclohexen-1-one, 3-phenyl-, oxime |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 187.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 187.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 187.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.719943257142857 |
| Inchi | InChI=1S/C12H13NO/c14-13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,9,14H,4,7-8H2/b13-12+ |
| Smiles | C1CC(=C/C(=N/O)/C1)C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Menispermum Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sinomenium Acutum (Plant) Rel Props:Source_db:cmaup_ingredients