Molecule

ID:79341

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClO₄
Molecular Mass
244.67152
Exact Mass
244.05023658
Charge
0
InChI
InChI=1S/C11H13ClO4/c1-4-16-11(13)7-5-6-8(14-2)10(15-3)9(7)12/h5-6H,4H2,1-3H3
InChIKey
AXNMDQHZRJDVRG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1Cl)OC)OC
Isomeric Smiles
O=C(c1c(c(c(cc1)OC)OC)Cl)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.622233
LogD (pH = 7.4)
2.622233
Log P
2.622233
Molar Refractivity
60.5631
Polarizability
23.611296
Polar Surface Area
44.76
Rotatable Bonds
5
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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