Structure

InChI Key JXTHNDFMNIQAHM-UHFFFAOYSA-N
Smile O=C(O)C(Cl)Cl
InChI
InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H2Cl2O2
Molecular Weight 128.94
AlogP 0.87
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 6.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
MELAS Syndrome 2 D017241 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Head and Neck Neoplasms 1 D006258 ClinicalTrials
Brain Neoplasms 1 D001932 ClinicalTrials
Hyperglycemia 0 D006943 ClinicalTrials

Cross References

Resources Reference
ChEBI 36386
ChEMBL CHEMBL13960
DrugBank DB08809
DrugCentral 862
EPA CompTox DTXSID2020428
FDA SRS 9LSH52S3LQ
KEGG C11149
PDB TF4
SureChEMBL SCHEMBL7777
ZINC ZINC000003830689