Keyword(s): Human Neurotoxin
Molecule Category Free-form
EPA CompTox DTXSID60165184

Structure

InChI Key ICLWTJIMXVISSR-UHFFFAOYSA-N
Smiles O(C1=CC=CC(OCCN(CC)CC)=C1OCCN(CC)CC)CCN(CC)CC
InChI
InChI=1/C24H45N3O3/c1-7-25(8-2)16-19-28-22-14-13-15-23(29-20-17-26(9-3)10-4)24(22)30-21-18-27(11-5)12-6/h13-15H,7-12,16-21H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H45N3O3
Molecular Weight 423.35
AlogP 3.85
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 18.0
Polar Surface Area 37.41
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 30.0

Cross References

Resources Reference
CAS NUMBER 153-76-4
NORMAN SUSDAT
PubChem 67425