Molecule

ID:37200

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₄
Molecular Mass
210.22646
Exact Mass
210.08920893
Charge
0
InChI
InChI=1S/C11H14O4/c1-7(2)15-9-5-4-8(11(12)13)6-10(9)14-3/h4-7H,1-3H3,(H,12,13)
InChIKey
JIDRJYBQEIPGRF-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC(C)C)C(=O)O
Isomeric Smiles
c1cc(cc(c1OC(C)C)OC)C(=O)O
Calculated Properties
JChem
Acid pKa
4.1354213
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.7088864
LogD (pH = 7.4)
-0.9874701
Log P
2.088869
Molar Refractivity
55.408
Polarizability
21.40196
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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