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3-Cyclohexenyl radical

PubChem CID: 10873974

Connections displayed (default: 10).
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Compound Synonyms 3-Cyclohexenyl radical
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 6.0
Isotope Atom Count 0.0
Molecular Complexity 45.5
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Prediction Hob 1.0
Xlogp 2.9
Molecular Formula C6H9
Prediction Swissadme 0.0
Inchi Key FHEPZBIUHGLJMP-UHFFFAOYSA-N
Fcsp3 0.5
Logs -2.608
Rotatable Bond Count 0.0
Logd 2.37
Compound Name 3-Cyclohexenyl radical
Prediction Hob Swissadme 0.0
Exact Mass 81.0704
Formal Charge 0.0
Monoisotopic Mass 81.0704
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 81.14
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.1448555999999996
Inchi InChI=1S/C6H9/c1-2-4-6-5-3-1/h1-3H,4-6H2
Smiles C1CC=C[CH]C1
Nring 1.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients