Metabolite Phenyl Radical
- Name
- Phenyl Radical
- Description
- Not Available
- Structure
Structure for Phenyl Radical
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 77.105
Monoisotopic: 77.038576581 - Chemical Formula
- C6H5
- InChI Key
- UEDBHEFYEKZZBA-UHFFFAOYSA-N
- InChI
- InChI=1S/C6H5/c1-2-4-6-5-3-1/h1-5H/q+1
- IUPAC Name
- benzenylium
- SMILES
- C1=CC=[C+]C=C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 108.60409 predictedDeepCCS 1.0 (2019) [M+H]+ 111.12168 predictedDeepCCS 1.0 (2019) [M+Na]+ 119.63498 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 4323767
- Predicted Properties
Property Value Source Water Solubility 0.603 mg/mL ALOGPS logP 2.76 ALOGPS logP 1.71 Chemaxon logS -2.3 ALOGPS Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 0 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 25.92 m3·mol-1 Chemaxon Polarizability 8.54 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon