Structure

InChI Key BAHPQISAXRFLCL-UHFFFAOYSA-N
Smiles COc1ccc(N)cc1N
InChI
InChI=1S/C7H10N2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,8-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10N2O1
Molecular Weight 138.08
AlogP 0.86
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 61.27
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 615-05-4
NORMAN SUSDAT
FDA SRS 86SSM2N1X7
PubChem 11976
ChemSpider 11481.0