Molecule

ID:136739

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₂
Molecular Mass
178.22766
Exact Mass
178.09937969
Charge
0
InChI
InChI=1S/C11H14O2/c1-3-4-11(12)9-5-7-10(13-2)8-6-9/h3,5-8,11-12H,1,4H2,2H3
InChIKey
JRKLDYQREJAUNQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(CC=C)O
Isomeric Smiles
COc1ccc(cc1)C(CC=C)O
Calculated Properties
JChem
Acid pKa
14.432431
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.127903
LogD (pH = 7.4)
2.1279027
Log P
2.127903
Molar Refractivity
52.925
Polarizability
20.5881
Polar Surface Area
29.46
Rotatable Bonds
4
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
References
Bioactivity
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