Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN

Structure

InChI Key LQKQLKMTJOMCMJ-UHFFFAOYSA-N
Smile CCCc1c(-c2ccccc2)nn(-c2ccccn2)c1O
InChI
InChI=1S/C17H17N3O/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

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H17N3O
Molecular Weight 279.34
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 CHEMBL4650894