Molecule

ID:85329

General Information
Structure
MolImage
Molecular Formula
C₆H₉Cl₃O₂
Molecular Mass
219.49346
Exact Mass
217.96681257
Charge
0
InChI
InChI=1S/C6H9Cl3O2/c1-3-5(10)11-4(2)6(7,8)9/h4H,3H2,1-2H3
InChIKey
VXRBEUCXWCLGJH-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)OC(C(Cl)(Cl)Cl)C
Isomeric Smiles
O(C(C(Cl)(Cl)Cl)C)C(=O)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6148152
LogD (pH = 7.4)
2.6148152
Log P
2.6148152
Molar Refractivity
46.413
Polarizability
18.311386
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
No Data Available
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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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