Keyword(s): Human Neurotoxin
Molecule Category Free-form
UNII 5Q3PE07Z18
EPA CompTox DTXSID9034816

Structure

InChI Key KRTSDMXIXPKRQR-AATRIKPKSA-N
Smiles C/C(=CC(=NC)O)/OP(=O)(OC)OC
InChI
InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14N1O5P1
Molecular Weight 223.06
AlogP 1.89
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 77.35
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 6923-22-4
NORMAN SUSDAT
FDA SRS 5Q3PE07Z18
PubChem 5371562
ChemSpider 4522053.0