Molecule

ID:56950

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Cl₃O₂
Molecular Mass
315.57906
Exact Mass
313.96681257
Charge
0
InChI
InChI=1S/C14H9Cl3O2/c15-10-5-6-13(11(7-10)14(17)18)19-8-9-3-1-2-4-12(9)16/h1-7H,8H2
InChIKey
VEUGFYPLBCULEU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(=O)Cl)OCc1ccccc1Cl
Isomeric Smiles
c1(cc(c(cc1)OCc1ccccc1Cl)C(=O)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.9390497
LogD (pH = 7.4)
4.9390497
Log P
4.9390497
Molar Refractivity
77.8581
Polarizability
29.978357
Polar Surface Area
26.3
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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