TOLDIMFOS

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5X1442L8IO

Structure

InChI Key RQGQCGAOGULZGB-UHFFFAOYSA-O
Smiles CN(C)c1ccc(c(C)c1)[P+](O)=O
InChI
InChI=1S/C9H12NO2P/c1-7-6-8(10(2)3)4-5-9(7)13(11)12/h4-6H,1-3H3/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13N1O2P1
Molecular Weight 198.07
AlogP 0.57
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 38.58
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 57808-64-7
NORMAN SUSDAT
FDA SRS 5X1442L8IO
CONTENTS