Molecule

ID:126524

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄Cl₂O₃
Molecular Mass
325.18656
Exact Mass
324.03199967
Charge
0
InChI
InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3
InChIKey
RAPBNVDSDCTNRC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O
Isomeric Smiles
Clc1ccc(cc1)C(O)(c1ccc(Cl)cc1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.987755
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.2683372
LogD (pH = 7.4)
4.268226
Log P
4.2683387
Molar Refractivity
82.6094
Polarizability
32.416534
Polar Surface Area
46.53
Rotatable Bonds
5
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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