Ethyl, 2-phenyl-
PubChem CID: 146323
Connections displayed (default: 10).
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| Compound Synonyms | Ethyl, 2-phenyl-, 17203-53-1, DTXCID0091693 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 51.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C8H9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KRTGJZMJJVEKRX-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -2.588 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.291 |
| Compound Name | Ethyl, 2-phenyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 105.07 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 105.07 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 105.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9654920000000002 |
| Inchi | InChI=1S/C8H9/c1-2-8-6-4-3-5-7-8/h3-7H,1-2H2 |
| Smiles | [CH2]CC1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients