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15307-81-0 molecular structure
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potassium 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate

ChemBase ID: 312789
Molecular Formular: C14H10Cl2KNO2
Molecular Mass: 334.239
Monoisotopic Mass: 332.97256561
SMILES and InChIs

SMILES:
c1ccc(c(c1)CC(=O)[O-])Nc1c(cccc1Cl)Cl.[K+]
Canonical SMILES:
[O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[K+]
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
InChIKey:
KXZOIWWTXOCYKR-UHFFFAOYSA-M

Cite this record

CBID:312789 http://www.chembase.cn/molecule-312789.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate
IUPAC Traditional name
potassium diclofenac(1-)
Synonyms
Diclofenac Potassium
CAS Number
15307-81-0

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Selleck Chemicals S3062 external link Add to cart
Data Source Data ID Price
Selleck Chemicals
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.995652  H Acceptors
H Donor LogD (pH = 5.5) 2.7453504 
LogD (pH = 7.4) 1.0974493  Log P 4.2590094 
Molar Refractivity 86.2985 cm3 Polarizability 28.92262 Å3
Polar Surface Area 52.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
Others expand Show data source
Salt Data
Potassium expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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