Molecule

ID:30970

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₃
Molecular Mass
194.22706
Exact Mass
194.09429431
Charge
0
InChI
InChI=1S/C11H14O3/c1-4-14-11-6-9(7-12)8(2)5-10(11)13-3/h5-7H,4H2,1-3H3
InChIKey
URUSALADQYHRFL-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)c(cc1OC)C
Isomeric Smiles
c1(cc(c(cc1C)OC)OCC)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.240635
LogD (pH = 7.4)
2.240635
Log P
2.240635
Molar Refractivity
55.3582
Polarizability
20.866531
Polar Surface Area
35.53
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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