Structure

InChI Key ZBCBWPMODOFKDW-UHFFFAOYSA-N
Smile OCCNCCO
InChI
InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H11NO2
Molecular Weight 105.14
AlogP -1.44
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 52.49
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 7.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension, Pulmonary 3 D006976 ClinicalTrials
Ischemia 2 D007511 ClinicalTrials

Cross References

Resources Reference
ChEBI 28123
ChEMBL CHEMBL119604
EPA CompTox DTXSID3021932
FDA SRS AZE05TDV2V
Human Metabolome Database HMDB0004437
KEGG C06772
PubChem 8113
SureChEMBL SCHEMBL2324
ZINC ZINC000005975487