Keyword(s): Human Neurotoxin
Molecule Category Salt-form
UNII B66E5RK36Q
EPA CompTox DTXSID0045412

Structure

InChI Key ULFCBIUXQQYDEI-UHFFFAOYSA-N
Smiles Cl.NC(CO)C(=O)NNCC1=C(O)C(O)=C(O)C=C1
InChI
InChI=1/C10H15N3O5.ClH/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16;/h1-2,6,12,14-17H,3-4,11H2,(H,13,18);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16ClN3O5
Molecular Weight 293.08
AlogP -0.49
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 5.0
Polar Surface Area 151.56
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 14919-77-8
NORMAN SUSDAT
FDA SRS B66E5RK36Q