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7-Propylidene-bicyclo[4.1.0]heptane

PubChem CID: 556456

Connections displayed (default: 10).
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Compound Synonyms 7-Propylidene-bicyclo[4.1.0]heptane, HZSPRZGGVIADMF-UHFFFAOYSA-N
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 10.0
Isotope Atom Count 0.0
Molecular Complexity 141.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 7-propylidenebicyclo[4.1.0]heptane
Prediction Hob 1.0
Xlogp 3.2
Molecular Formula C10H16
Prediction Swissadme 0.0
Inchi Key HZSPRZGGVIADMF-UHFFFAOYSA-N
Fcsp3 0.8
Logs -5.403
Rotatable Bond Count 1.0
Logd 3.945
Compound Name 7-Propylidene-bicyclo[4.1.0]heptane
Prediction Hob Swissadme 0.0
Exact Mass 136.125
Formal Charge 0.0
Monoisotopic Mass 136.125
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 136.23
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -2.6220756000000005
Inchi InChI=1S/C10H16/c1-2-5-8-9-6-3-4-7-10(8)9/h5,9-10H,2-4,6-7H2,1H3
Smiles CCC=C1C2C1CCCC2
Nring 2.0
Defined Bond Stereocenter Count 0.0

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