Structure

InChI Key PRZJIMSXCLZGLT-UHFFFAOYSA-M
Smile Nc1ccc(C(=O)[O-])c(O)c1.[K+]
InChI
InChI=1S/C7H7NO3.K/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6KNO3
Molecular Weight 191.23
AlogP 0.67
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 83.55
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 11.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dihydrofolate reductase inhibitor PubMed PubMed

Cross References

Resources Reference
ChEMBL CHEMBL1200584
EPA CompTox DTXSID3059634
FDA SRS 7N21461LKD
SureChEMBL SCHEMBL1477512