Molecule

ID:111452

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉Cl₃O₂
Molecular Mass
267.53626
Exact Mass
265.96681257
Charge
0
InChI
InChI=1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3
InChIKey
JKRWZLOCPLZZEI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OC(C(Cl)(Cl)Cl)c1ccccc1
Isomeric Smiles
CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2819445
LogD (pH = 7.4)
3.2819445
Log P
3.2819445
Molar Refractivity
61.6501
Polarizability
24.089907
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
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
References
Bioactivity
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