DICLOFENAC POTASSIUM [USAN:USP]

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Keyword(s): Human Neurotoxin
Molecule Category Salt-form
EPA CompTox DTXSID30165212

Structure

InChI Key KXZOIWWTXOCYKR-UHFFFAOYSA-M
Smiles [K+].[O-]C(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl
InChI
InChI=1S/C14H11Cl2NO2.K/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H10Cl2KNO2
Molecular Weight 332.97
AlogP 0.03
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 52.16
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 15307-81-0
NORMAN SUSDAT
CONTENTS