Structure

InChI Key AEMRFAOFKBGASW-UHFFFAOYSA-N
Smile O=C(O)CO
InChI
InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H4O3
Molecular Weight 76.05
AlogP -0.94
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 57.53
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 5.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acne Vulgaris 2 D000152 ClinicalTrials
Herpes Labialis 2 D006560 ClinicalTrials
Melanosis 0 D008548 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 79-14-1
ChEBI 17497
ChEMBL CHEMBL252557
DrugBank DB03085
DrugCentral 4645
EPA CompTox DTXSID0025363
FDA SRS 0WT12SX38S
Human Metabolome Database HMDB0000115
KEGG C03547
PDB GOA
PubChem 757
SureChEMBL SCHEMBL1222
ZINC ZINC000004658557