Molecule
ID:124267
General Information
Molecular Formula
C₁₁H₈Cl₂O₂
Molecular Mass
243.08602
Exact Mass
241.99013486
Charge
0
InChI
InChI=1S/C11H8Cl2O2/c12-8-3-7(4-9(13)5-8)11-2-1-10(6-14)15-11/h1-5,14H,6H2
InChIKey
JEHATNRRILNGKC-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(o1)c1cc(Cl)cc(c1)Cl
Isomeric Smiles
c1(oc(cc1)CO)c1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
13.768015
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0414586
LogD (pH = 7.4)
3.0414584
Log P
3.0414586
Molar Refractivity
59.8881
Polarizability
24.346226
Polar Surface Area
33.37
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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