Molecule

ID:107286

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClO₂
Molecular Mass
228.71518
Exact Mass
228.09170746
Charge
0
InChI
InChI=1S/C12H17ClO2/c1-3-7-14-10-5-6-12(11(13)9-10)15-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey
SWQFWWUXVCCQSJ-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(c(c1)Cl)OCCC
Isomeric Smiles
CCCOc1ccc(OCCC)c(Cl)c1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0206084
LogD (pH = 7.4)
4.0206084
Log P
4.0206084
Molar Refractivity
62.3344
Polarizability
24.61635
Polar Surface Area
18.46
Rotatable Bonds
6
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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