Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key FUJWSHXCQJQJJP-UHFFFAOYSA-N
Smiles [Mg++]|1|2|3|4|5|6|7|8(|[CH-]9[CH-]|1[CH-]|2[CH-]|3[CH-]|49)|[CH-]%10C|5=C|6C|7=C|8%10
InChI
InChI=1S/C5H2.C5H.Mg/c2*1-2-4-5-3-1;/h1,4H;1H;/q-3;;+2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H3Mg1
Molecular Weight 147.01
AlogP 0.94
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1284-72-6
NORMAN SUSDAT