Molecule

ID:56750

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉Cl₃O₂
Molecular Mass
267.53626
Exact Mass
265.96681257
Charge
0
InChI
InChI=1S/C10H9Cl3O2/c1-10(2,9(13)14)15-8-5-6(11)3-4-7(8)12/h3-5H,1-2H3
InChIKey
GJAJDJVWUDNMOZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)OC(C(=O)Cl)(C)C)Cl
Isomeric Smiles
c1(OC(C(=O)Cl)(C)C)cc(ccc1Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.036507
LogD (pH = 7.4)
4.036507
Log P
4.036507
Molar Refractivity
61.2811
Polarizability
24.191093
Polar Surface Area
26.3
Rotatable Bonds
3
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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