Molecule

ID:113276

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₄
Molecular Mass
222.23716
Exact Mass
222.08920893
Charge
0
InChI
InChI=1S/C12H14O4/c1-2-10(14-6-12-8-16-12)4-3-9(1)13-5-11-7-15-11/h1-4,11-12H,5-8H2
InChIKey
FSYPIGPPWAJCJG-UHFFFAOYSA-N
Canonic Smiles
O1CC1COc1ccc(cc1)OCC1OC1
Isomeric Smiles
O1C(C1)COc1ccc(OCC2OC2)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3404366
LogD (pH = 7.4)
1.3404366
Log P
1.3404366
Molar Refractivity
56.4738
Polarizability
22.684307
Polar Surface Area
43.52
Rotatable Bonds
6
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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