Molecule

ID:79416

General Information
Structure
MolImage
Molecular Formula
C₇H₄Cl₂O₃
Molecular Mass
207.01086
Exact Mass
205.95374935
Charge
0
InChI
InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChIKey
CNJGWCQEGROXEE-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)C(=O)O)O
Isomeric Smiles
O=C(c1c(c(cc(c1)Cl)Cl)O)O
Calculated Properties
JChem
Acid pKa
2.4150155
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.2333385
LogD (pH = 7.4)
-0.33061227
Log P
3.1853528
Molar Refractivity
44.9047
Polarizability
17.2386
Polar Surface Area
57.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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