Molecule

ID:45675

General Information
Structure
MolImage
Molecular Formula
C₅H₆Cl₃NO₂
Molecular Mass
218.46564
Exact Mass
216.94641148
Charge
0
InChI
InChI=1S/C5H6Cl3NO2/c6-5(7,8)4(10)11-3-1-9-2-3/h3,9H,1-2H2
InChIKey
YYAXCJMDIIVUGI-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cl)(Cl)Cl)OC1CNC1
Isomeric Smiles
C(C(=O)OC1CNC1)(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5139471
LogD (pH = 7.4)
0.19221409
Log P
1.1987755
Molar Refractivity
43.353
Polarizability
17.354567
Polar Surface Area
38.33
Rotatable Bonds
3
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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