Molecule

ID:84135

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀Cl₄O₂
Molecular Mass
376.0614
Exact Mass
373.94349028
Charge
0
InChI
InChI=1S/C16H10Cl4O2/c1-22-16-11(7-9(17)8-14(16)20)15(21)6-5-10-12(18)3-2-4-13(10)19/h2-8H,1H3
InChIKey
IFUKIGXRDYHSPU-UHFFFAOYSA-N
Canonic Smiles
COc1c(Cl)cc(cc1C(=O)/C=C/c1c(Cl)cccc1Cl)Cl
Isomeric Smiles
O=C(c1cc(cc(c1OC)Cl)Cl)/C=C/c1c(cccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
15.047313
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.148833
LogD (pH = 7.4)
6.148833
Log P
6.148833
Molar Refractivity
92.5594
Polarizability
35.433678
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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