Molecule

ID:86176

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉Cl₃O₂
Molecular Mass
267.53626
Exact Mass
265.96681257
Charge
0
InChI
InChI=1S/C10H9Cl3O2/c1-15-10(14)9(13)4-6-2-3-7(11)5-8(6)12/h2-3,5,9H,4H2,1H3
InChIKey
CIJDYSFGMGJYSY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(Cc1ccc(cc1Cl)Cl)Cl
Isomeric Smiles
O=C(C(Cc1c(cc(cc1)Cl)Cl)Cl)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8930721
LogD (pH = 7.4)
3.8930721
Log P
3.8930721
Molar Refractivity
60.8885
Polarizability
24.154202
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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