Molecule

ID:109561

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃ClO₂
Molecular Mass
152.61922
Exact Mass
152.06040734
Charge
0
InChI
InChI=1S/C6H13ClO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3
InChIKey
OVXJWSYBABKZMD-UHFFFAOYSA-N
Canonic Smiles
ClCC(OCC)OCC
Isomeric Smiles
CCOC(CCl)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7815578
LogD (pH = 7.4)
1.7815578
Log P
1.7815578
Molar Refractivity
37.6341
Polarizability
15.037259
Polar Surface Area
18.46
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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