Molecule

ID:81540

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClO₃
Molecular Mass
258.74116
Exact Mass
258.10227215
Charge
0
InChI
InChI=1S/C13H19ClO3/c1-4-15-13(16-5-2)9-17-12-7-6-11(14)8-10(12)3/h6-8,13H,4-5,9H2,1-3H3
InChIKey
XHXNUYSQCCSEFV-UHFFFAOYSA-N
Canonic Smiles
CCOC(COc1ccc(cc1C)Cl)OCC
Isomeric Smiles
O(c1c(cc(cc1)Cl)C)CC(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8785837
LogD (pH = 7.4)
3.8785837
Log P
3.8785837
Molar Refractivity
68.689
Polarizability
27.075867
Polar Surface Area
27.69
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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