Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CS8D10SY5L
EPA CompTox DTXSID2062662

Structure

InChI Key HDGMAACKJSBLMW-UHFFFAOYSA-N
Smiles Cc1c(O)ccc(N)c1
InChI
InChI=1S/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9N1O1
Molecular Weight 123.07
AlogP 1.28
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 46.25
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 2835-96-3
NORMAN SUSDAT
FDA SRS CS8D10SY5L
PubChem 76081
ChemSpider 68570.0