2-(2-PYRIDYL)ETHYLIDINE-1,1-BISPHOSPHONATE

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

Structure

InChI Key NGMZSXZBZNXBGX-UHFFFAOYSA-N
Smiles O[P](O)(=O)C(Cc1ccccn1)[P](O)(O)=O
InChI
InChI=1S/C7H11NO6P2/c9-15(10,11)7(16(12,13)14)5-6-3-1-2-4-8-6/h1-4,7H,5H2,(H2,9,10,11)(H2,12,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H11N1O6P2
Molecular Weight 267.01
AlogP 0.31
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 127.95
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 75755-07-6
NORMAN SUSDAT
CONTENTS