Molecule

ID:15457

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₃
Molecular Mass
194.22706
Exact Mass
194.09429431
Charge
0
InChI
InChI=1S/C11H14O3/c1-3-14-11-5-4-9(8-13-2)6-10(11)7-12/h4-7H,3,8H2,1-2H3
InChIKey
OFTZLKMSHWHVPO-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1C=O)COC
Isomeric Smiles
c1(c(ccc(c1)COC)OCC)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7606616
LogD (pH = 7.4)
1.7606616
Log P
1.7606616
Molar Refractivity
55.4209
Polarizability
20.95264
Polar Surface Area
35.53
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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