Structure

InChI Key IDKAXRLETRCXKS-UHFFFAOYSA-N
Smile O=C(O)Cc1ccccc1Oc1ccc(Cl)cc1Cl
InChI
InChI=1S/C14H10Cl2O3/c15-10-5-6-13(11(16)8-10)19-12-4-2-1-3-9(12)7-14(17)18/h1-6,8H,7H2,(H,17,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H10Cl2O3
Molecular Weight 297.14
AlogP 4.41
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 46.53
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase inhibitor PubMed PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135254
ChEMBL CHEMBL15677
DrugCentral 1147
EPA CompTox DTXSID6048830
FDA SRS Y01JW64D01
PubChem 65394
SureChEMBL SCHEMBL25161
ZINC ZINC000000001428