Molecule

ID:40284

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₃
Molecular Mass
194.22706
Exact Mass
194.09429431
Charge
0
InChI
InChI=1S/C11H14O3/c1-11(2,3)14-9-6-4-5-8(7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChIKey
IURSJORDCNZJFE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1)OC(C)(C)C
Isomeric Smiles
C(=O)(c1cc(OC(C)(C)C)ccc1)O
Calculated Properties
JChem
Acid pKa
3.8369515
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8606019
LogD (pH = 7.4)
-0.7179052
Log P
2.527117
Molar Refractivity
53.583
Polarizability
20.697802
Polar Surface Area
46.53
Rotatable Bonds
3
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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