Structure

InChI Key GMFJXGGAGPCRBM-UHFFFAOYSA-N
Smiles CCCc1c(-c2ccccc2)nn(-c2ccccn2)c1O.Cl
InChI
InChI=1S/C17H17N3O.ClH/c1-2-8-14-16(13-9-4-3-5-10-13)19-20(17(14)21)15-11-6-7-12-18-15;/h3-7,9-12,21H,2,8H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H18ClN3O
Molecular Weight 315.8
AlogP 3.59
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 50.94
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 21.0

Cross References

Resources Reference
ChEMBL CHEMBL4650358
FDA SRS Q99G5ZE5U5