Molecule

ID:25733

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₄
Molecular Mass
210.22646
Exact Mass
210.08920893
Charge
0
InChI
InChI=1S/C11H14O4/c1-11(2,10(12)13)15-9-6-4-5-8(7-9)14-3/h4-7H,1-3H3,(H,12,13)
InChIKey
QJUAQHVOCKJYLS-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)OC(C(=O)O)(C)C
Isomeric Smiles
C(C(=O)O)(Oc1cc(OC)ccc1)(C)C
Calculated Properties
JChem
Acid pKa
3.5540242
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.19773673
LogD (pH = 7.4)
-1.2211199
Log P
2.1374168
Molar Refractivity
54.2762
Polarizability
21.428646
Polar Surface Area
55.76
Rotatable Bonds
4
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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