Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7ZP212ZC8J

Structure

InChI Key LOPKSXMQWBYUOI-DTWKUNHWSA-N
Smiles [NH3+][C@H]1[C@@H](O)Cc2ccccc12
InChI
InChI=1S/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2/t8-,9+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11N1O1
Molecular Weight 149.08
AlogP 0.6
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 46.25
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 136030-00-7
NORMAN SUSDAT
FDA SRS 7ZP212ZC8J