Molecule

ID:70844

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁ClO₃
Molecular Mass
166.60274
Exact Mass
166.03967189
Charge
0
InChI
InChI=1S/C6H11ClO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3/t5-/m1/s1
InChIKey
ZAJNMXDBJKCCAT-RXMQYKEDSA-N
Canonic Smiles
CCOC(=O)C[C@H](CCl)O
Isomeric Smiles
C(=O)(C[C@H](CCl)O)OCC
Calculated Properties
JChem
Acid pKa
14.106546
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.4233779
LogD (pH = 7.4)
0.4233778
Log P
0.4233779
Molar Refractivity
37.5765
Polarizability
15.120999
Polar Surface Area
46.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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