Molecule

ID:10149

General Information
Structure
MolImage
Molecular Formula
C₉H₆Cl₂O₂
Molecular Mass
217.04874
Exact Mass
215.97448479
Charge
0
InChI
InChI=1S/C9H6Cl2O2/c1-5(12)9(13)6-2-7(10)4-8(11)3-6/h2-4H,1H3
InChIKey
WWMMJQWHEMLODX-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(Cl)cc(c1)Cl)C(=O)C
Isomeric Smiles
c1(C(=O)C(=O)C)cc(cc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
16.887745
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0282023
LogD (pH = 7.4)
3.0282023
Log P
3.0282023
Molar Refractivity
51.4164
Polarizability
19.804436
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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