CITRIC ACID

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Synonyms
Status
Molecule Category Free-form
ATC A09AB04
UNII XF417D3PSL
EPA CompTox DTXSID3020332

Structure

InChI Key KRKNYBCHXYNGOX-UHFFFAOYSA-N
Smiles O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8O7
Molecular Weight 192.12
AlogP -1.25
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 132.13
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 13.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Geobacillus phage GBSV1
- - - - 40

Cross References

Resources Reference
ChEBI 30769
ChEMBL CHEMBL1261
DrugBank DB04272
DrugCentral 666
FDA SRS XF417D3PSL
Human Metabolome Database HMDB0000094
Guide to Pharmacology 2478
KEGG C00158
PDB CIT
PharmGKB PA449021
SureChEMBL SCHEMBL842
ZINC ZINC000000895081
CONTENTS