Molecule

ID:18227

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₃
Molecular Mass
194.22706
Exact Mass
194.09429431
Charge
0
InChI
InChI=1S/C11H14O3/c1-8-4-6-9(7-5-8)14-11(2,3)10(12)13/h4-7H,1-3H3,(H,12,13)
InChIKey
OQUCRQLGCRZSBH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Oc1ccc(cc1)C)(C)C
Isomeric Smiles
C(C(=O)O)(Oc1ccc(cc1)C)(C)C
Calculated Properties
JChem
Acid pKa
3.9581454
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2588044
LogD (pH = 7.4)
-0.37407312
Log P
2.8085093
Molar Refractivity
52.8542
Polarizability
20.650301
Polar Surface Area
46.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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