Molecule

ID:56967

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁Cl₃O₃
Molecular Mass
345.60504
Exact Mass
343.97737725
Charge
0
InChI
InChI=1S/C15H11Cl3O3/c1-20-13-4-2-3-11(15(18)19)14(13)21-8-9-5-6-10(16)7-12(9)17/h2-7H,8H2,1H3
InChIKey
ISUBMVMXXIDCSV-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OCc1ccc(cc1Cl)Cl)C(=O)Cl
Isomeric Smiles
c1cc(c(c(c1)OC)OCc1ccc(cc1Cl)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.7813783
LogD (pH = 7.4)
4.7813783
Log P
4.7813783
Molar Refractivity
84.3213
Polarizability
32.536736
Polar Surface Area
35.53
Rotatable Bonds
5
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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