[(METHYLIMINO)DIMETHYLENE]BISPHOSPHONIC ACID

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50975370

Structure

InChI Key VTXYPEKJZXRXJB-UHFFFAOYSA-N
Smiles O=P(O)(O)CN(C)CP(=O)(O)O
InChI
InChI=1/C3H11NO6P2/c1-4(2-11(5,6)7)3-12(8,9)10/h2-3H2,1H3,(H2,5,6,7)(H2,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H11NO6P2
Molecular Weight 219.01
AlogP -0.81
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 118.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 5995-25-5
NORMAN SUSDAT
CONTENTS