Molecule

ID:83407

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉Cl₃O₂
Molecular Mass
267.53626
Exact Mass
265.96681257
Charge
0
InChI
InChI=1S/C10H9Cl3O2/c1-7(10(11,12)13)15-9(14)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
UOZZELCKTHEAQQ-UHFFFAOYSA-N
Canonic Smiles
CC(C(Cl)(Cl)Cl)OC(=O)c1ccccc1
Isomeric Smiles
O(C(=O)c1ccccc1)C(C(Cl)(Cl)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.968454
LogD (pH = 7.4)
3.968454
Log P
3.968454
Molar Refractivity
62.4566
Polarizability
24.06836
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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