Molecule

ID:78486

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₃
Molecular Mass
194.22706
Exact Mass
194.09429431
Charge
0
InChI
InChI=1S/C11H14O3/c1-13-8-10-5-3-9(4-6-10)7-11(12)14-2/h3-6H,7-8H2,1-2H3
InChIKey
PICKHCWVNHPTSX-UHFFFAOYSA-N
Canonic Smiles
COCc1ccc(cc1)CC(=O)OC
Isomeric Smiles
O=C(Cc1ccc(cc1)COC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6326649
LogD (pH = 7.4)
1.6326649
Log P
1.6326649
Molar Refractivity
53.7018
Polarizability
20.984493
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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