Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID30168107

Structure

InChI Key HWWVAHCWJLGKLW-UHFFFAOYSA-N
Smiles Cl.ON(C)C
InChI
InChI=1/C2H7NO.ClH/c1-3(2)4;/h4H,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H7NO
Molecular Weight 97.03
AlogP 0.36
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 23.47
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 16645-06-0
NORMAN SUSDAT
PubChem 27970