Molecule

ID:17475

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₃
Molecular Mass
194.22706
Exact Mass
194.09429431
Charge
0
InChI
InChI=1S/C11H14O3/c1-8(2)14-11-6-9(7-12)4-5-10(11)13-3/h4-8H,1-3H3
InChIKey
XLUAYJHDQOQHPB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1OC(C)C)C=O
Isomeric Smiles
c1(OC(C)C)c(ccc(c1)C=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1437886
LogD (pH = 7.4)
2.1437886
Log P
2.1437886
Molar Refractivity
54.7358
Polarizability
20.942049
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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