Molecule

ID:136243

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆O₃
Molecular Mass
196.24294
Exact Mass
196.10994437
Charge
0
InChI
InChI=1S/C11H16O3/c1-12-10-7-5-4-6-9(10)8-11(13-2)14-3/h4-7,11H,8H2,1-3H3
InChIKey
IAUOVMNXNAEWSV-UHFFFAOYSA-N
Canonic Smiles
COC(Cc1ccccc1OC)OC
Isomeric Smiles
COc1ccccc1CC(OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0302136
LogD (pH = 7.4)
2.0302136
Log P
2.0302136
Molar Refractivity
54.7348
Polarizability
21.51595
Polar Surface Area
27.69
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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