Molecule

ID:122049

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁ClO
Molecular Mass
122.59324
Exact Mass
122.04984265
Charge
0
InChI
InChI=1S/C5H11ClO/c1-5(2)7-4-3-6/h5H,3-4H2,1-2H3
InChIKey
ZPEFUABIKZOZPV-UHFFFAOYSA-N
Canonic Smiles
ClCCOC(C)C
Isomeric Smiles
ClCCOC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5624223
LogD (pH = 7.4)
1.5624223
Log P
1.5624223
Molar Refractivity
31.5232
Polarizability
12.47141
Polar Surface Area
9.23
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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