Structure

InChI Key MHQRIKBJCFNCIH-UHFFFAOYSA-N
Smile CCN(CC)CCCNCc1cc(Cl)c2cccnc2c1O.Cl
InChI
InChI=1S/C17H24ClN3O.ClH/c1-3-21(4-2)10-6-8-19-12-13-11-15(18)14-7-5-9-20-16(14)17(13)22;/h5,7,9,11,19,22H,3-4,6,8,10,12H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H25Cl2N3O
Molecular Weight 358.31
AlogP 3.42
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 48.39
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Enterobacteriaceae Infections 3 D004756 ClinicalTrials
Mastitis 2 D008413 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2106065
FDA SRS SQ922M93PI
SureChEMBL SCHEMBL4468664