Molecule

ID:56970

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄Cl₂O₃
Molecular Mass
325.18656
Exact Mass
324.03199967
Charge
0
InChI
InChI=1S/C16H14Cl2O3/c1-2-20-15-9-11(16(18)19)7-8-14(15)21-10-12-5-3-4-6-13(12)17/h3-9H,2,10H2,1H3
InChIKey
IIWVHYCEXWDZGH-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(ccc1OCc1ccccc1Cl)C(=O)Cl
Isomeric Smiles
c1cc(cc(c1OCc1c(cccc1)Cl)OCC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.5341415
LogD (pH = 7.4)
4.5341415
Log P
4.5341415
Molar Refractivity
84.2651
Polarizability
32.440044
Polar Surface Area
35.53
Rotatable Bonds
6
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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