Molecule

ID:79503

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₄
Molecular Mass
210.22646
Exact Mass
210.08920893
Charge
0
InChI
InChI=1S/C11H14O4/c1-7(12)6-15-10-5-3-4-9(14)11(10)8(2)13/h3-5,7,12,14H,6H2,1-2H3
InChIKey
XUCAYUZOQRDJRZ-UHFFFAOYSA-N
Canonic Smiles
CC(COc1cccc(c1C(=O)C)O)O
Isomeric Smiles
O(c1c(c(ccc1)O)C(=O)C)CC(O)C
Calculated Properties
JChem
Acid pKa
10.205598
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.4461212
LogD (pH = 7.4)
1.4454559
Log P
1.4461298
Molar Refractivity
55.616
Polarizability
21.51804
Polar Surface Area
66.76
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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