2-Methylbenzyl radical
PubChem CID: 137549
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| Compound Synonyms | 2-Methylbenzyl radical |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 66.4 |
| 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 | DTBHRRDGLARWLZ-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.26 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.6 |
| Compound Name | 2-Methylbenzyl radical |
| 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 | -1.871692 |
| Inchi | InChI=1S/C8H9/c1-7-5-3-4-6-8(7)2/h3-6H,1H2,2H3 |
| Smiles | CC1=CC=CC=C1[CH2] |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients