Molecule

ID:83313

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆Cl₂O₄
Molecular Mass
367.22324
Exact Mass
366.04256435
Charge
0
InChI
InChI=1S/C18H16Cl2O4/c1-23-13-7-3-11(4-8-13)15(16(19)17(20)18(21)22)12-5-9-14(24-2)10-6-12/h3-10,15H,1-2H3,(H,21,22)
InChIKey
UWIUFGYDTQWQIL-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(/C(=C(/C(=O)O)\Cl)/Cl)c1ccc(cc1)OC
Isomeric Smiles
Cl/C(=C(\C(c1ccc(cc1)OC)c1ccc(cc1)OC)/Cl)/C(=O)O
Calculated Properties
JChem
Acid pKa
3.5197043
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.178474
LogD (pH = 7.4)
0.7817904
Log P
4.151197
Molar Refractivity
94.8154
Polarizability
36.314705
Polar Surface Area
55.76
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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