Structure

InChI Key GSEJCLTVZPLZKY-UHFFFAOYSA-N
Smile OCCN(CCO)CCO
InChI
InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15NO3
Molecular Weight 149.19
AlogP -1.73
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 63.93
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 10.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 28621
ChEMBL CHEMBL446061
DrugBank DB13747
DrugCentral 2768
EPA CompTox DTXSID9021392
FDA SRS 9O3K93S3TK
Human Metabolome Database HMDB0032538
KEGG C06771
PDB 211
PubChem 7618
SureChEMBL SCHEMBL1146
ZINC ZINC000000896409