Molecule

ID:79329

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(12)8-9-5-4-6-10(7-9)13-2/h4-7H,3,8H2,1-2H3
InChIKey
XXVVNHCWPHMLEZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1cccc(c1)OC
Isomeric Smiles
O=C(Cc1cc(ccc1)OC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9560249
LogD (pH = 7.4)
1.9560249
Log P
1.9560249
Molar Refractivity
53.3465
Polarizability
20.974312
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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