Molecule

ID:132198

General Information
Structure
MolImage
Molecular Formula
C₈H₆Cl₂O₃
Molecular Mass
223.02998199
Exact Mass
221.9726414
Charge
0
InChI
InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)/i8+2
InChIKey
OVSKIKFHRZPJSS-PPJXEINESA-N
Canonic Smiles
O[14C](=O)COc1ccc(cc1Cl)Cl
Isomeric Smiles
c1cc(c(cc1Cl)Cl)OC[14C](=O)O
Calculated Properties
JChem
Acid pKa
2.81042
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.13017285
LogD (pH = 7.4)
-0.99157256
Log P
2.5016472
Molar Refractivity
48.2154
Polarizability
19.130342
Polar Surface Area
46.53
Rotatable Bonds
3
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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