Structure

InChI Key ZUFQODAHGAHPFQ-UHFFFAOYSA-N
Smiles Cc1ncc(CO)c(CO)c1O.Cl
InChI
InChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H12ClNO3
Molecular Weight 205.64
AlogP 0.08
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 73.58
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Mechanism of Action Action Reference
Supplement None DailyMed BNF DailyMed

Cross References

Resources Reference
ChEBI 30961
ChEMBL CHEMBL1200756
FDA SRS 68Y4CF58BV
PubChem 6019
SureChEMBL SCHEMBL42293