Molecule

ID:56930

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃Cl₃O₃
Molecular Mass
359.63162
Exact Mass
357.99302732
Charge
0
InChI
InChI=1S/C16H13Cl3O3/c1-2-21-15-8-11(16(19)20)4-6-14(15)22-9-10-3-5-12(17)13(18)7-10/h3-8H,2,9H2,1H3
InChIKey
LBWRJVZXUYDTOA-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(ccc1OCc1ccc(c(c1)Cl)Cl)C(=O)Cl
Isomeric Smiles
c1cc(cc(c1OCc1cc(c(cc1)Cl)Cl)OCC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.1381865
LogD (pH = 7.4)
5.1381865
Log P
5.1381865
Molar Refractivity
89.0699
Polarizability
34.383057
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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