Molecule

ID:12146

General Information
Structure
MolImage
Molecular Formula
C₅H₅Cl₃O₂
Molecular Mass
203.451
Exact Mass
201.93551244
Charge
0
InChI
InChI=1S/C5H5Cl3O2/c1-2-4(9)10-3-5(6,7)8/h2H,1,3H2
InChIKey
JYNDMWZEMQAWTD-UHFFFAOYSA-N
Canonic Smiles
C=CC(=O)OCC(Cl)(Cl)Cl
Isomeric Smiles
C(=O)(C=C)OCC(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4873307
LogD (pH = 7.4)
2.4873307
Log P
2.4873307
Molar Refractivity
42.015
Polarizability
16.257893
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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