Structure

InChI Key GMUQJDAYXZXBOT-UHFFFAOYSA-M
Smile Nc1ccc(C(=O)[O-])c(O)c1.O.O.[Na+]
InChI
InChI=1S/C7H7NO3.Na.2H2O/c8-4-1-2-5(7(10)11)6(9)3-4;;;/h1-3,9H,8H2,(H,10,11);;2*1H2/q;+1;;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10NNaO5
Molecular Weight 211.15
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

Related Entries

Mixture

Cross References

Resources Reference
ChEMBL CHEMBL2096646
EPA CompTox DTXSID5036638
FDA SRS S38B9W6AXW
PubChem 16211148
SureChEMBL SCHEMBL84166