Molecule

ID:135395

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆O₃
Molecular Mass
196.24294
Exact Mass
196.10994437
Charge
0
InChI
InChI=1S/C11H16O3/c1-3-13-10-6-5-9(8-12)11(7-10)14-4-2/h5-7,12H,3-4,8H2,1-2H3
InChIKey
GVURYEOXXOUZQP-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(c(c1)OCC)CO
Isomeric Smiles
CCOc1ccc(c(c1)OCC)CO
Calculated Properties
JChem
Acid pKa
14.710432
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6041694
LogD (pH = 7.4)
1.6041694
Log P
1.6041694
Molar Refractivity
55.2975
Polarizability
21.500706
Polar Surface Area
38.69
Rotatable Bonds
5
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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