Structure

InChI Key XVDFMHARQUBJRE-UHFFFAOYSA-N
Smiles CNCCc1ccccn1.Cl.Cl
InChI
InChI=1S/C8H12N2.2ClH/c1-9-7-5-8-4-2-3-6-10-8;;/h2-4,6,9H,5,7H2,1H3;2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14Cl2N2
Molecular Weight 209.12
AlogP 0.84
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 24.92
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
ChEMBL CHEMBL1446813
FDA SRS 49K58SMZ7U
SureChEMBL SCHEMBL60646