Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30974886

Structure

InChI Key TXQDHQBSNAJSHQ-UHFFFAOYSA-N
Smiles C1=CC(NC1C)C
InChI
InChI=1/C6H11N/c1-5-3-4-6(2)7-5/h3-7H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11N
Molecular Weight 97.09
AlogP 0.92
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 12.03
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 59480-92-1
NORMAN SUSDAT
PubChem 101066