Molecule

ID:110751

General Information
Structure
Molecular Formula
C₁₁H₁₆O₃
Molecular Mass
196.24294
Exact Mass
196.10994437
Charge
0
InChI
InChI=1S/C11H16O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3
InChIKey
SVDPTFHRRNUNRS-UHFFFAOYSA-N
Canonic Smiles
CC(COC(=O)CCc1ccco1)C
Isomeric Smiles
CC(C)COC(=O)CCc1ccco1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.350099
LogD (pH = 7.4)
2.350099
Log P
2.350099
Molar Refractivity
53.0248
Polarizability
20.856466
Polar Surface Area
39.44
Rotatable Bonds
6
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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