[2,2,2-NITRILOTRI(ETHANOL)-N,O,O,O]PHENYLMERCURY LACTATE

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

Structure

InChI Key KHPVKUFFEDXLIY-UHFFFAOYSA-N
Smiles CC(O)C([O-])=O.OCCN(|[Hg+]c1ccccc1)(CCO)CCO
InChI
InChI=1S/C6H15NO3.C6H5.Hg/c8-4-1-7(2-5-9)3-6-10;1-2-4-6-5-3-1;/h8-10H,1-6H2;1-5H;/q;;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H20Hg1N1O3
Molecular Weight 428.11
AlogP -0.25
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 63.93
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 23319-66-6
NORMAN SUSDAT
CONTENTS