Molecule

ID:25860

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₃O₃
Molecular Mass
305.54118
Exact Mass
303.94607712
Charge
0
InChI
InChI=1S/C12H7Cl3O3/c13-7-3-10(14)12(11(15)4-7)17-6-9-2-1-8(5-16)18-9/h1-5H,6H2
InChIKey
IBHNOWHPQXEGKK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)COc1c(Cl)cc(cc1Cl)Cl
Isomeric Smiles
c1(c(cc(cc1Cl)Cl)Cl)OCc1oc(cc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.044932
LogD (pH = 7.4)
4.044932
Log P
4.044932
Molar Refractivity
70.4006
Polarizability
27.032257
Polar Surface Area
39.44
Rotatable Bonds
4
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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