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Human Metabolites
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SubStructure
Threshold (%) >=
70
Structure
InChI Key
KUKRLSJNTMLPPK-UHFFFAOYSA-N
Smiles
CC1(C)C2CCC1(C)C=C2
InChI
InChI=1S/C10H16/c1-9(2)8-4-6-10(9,3)7-5-8/h4,6,8H,5,7H2,1-3H3
Physicochemical Descriptors
Property Name
Value
Molecular Formula
C10H16
Molecular Weight
136.13
AlogP
3.0
Heavy Atoms
10.0
Cross References
Resources
Reference
CAS NUMBER
464-17-5
NORMAN SUSDAT
NS00010213
PubChem
10047
ChemSpider
9652.0
CONTENTS
Structure
Chemical and Physical Properties