Structure

InChI Key OMPJBNCRMGITSC-UHFFFAOYSA-N
Smile O=C(OOC(=O)c1ccccc1)c1ccccc1
InChI
InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H10O4
Molecular Weight 242.23
AlogP 2.62
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 52.6
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
None Releases active oxygen DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Infections 3 D007239 ClinicalTrials
Keratosis, Actinic 2 D055623 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture
Mixture
Mixture

Cross References

Resources Reference
CAS NUMBER 94-36-0
ChEBI 82405
ChEMBL CHEMBL1200370
DrugBank DB09096
DrugCentral 328
EPA CompTox DTXSID6024591
FDA SRS W9WZN9A0GM
Human Metabolome Database HMDB0032040
KEGG C19346
PubChem 7187
SureChEMBL SCHEMBL63
ZINC ZINC000000001016