Molecule

ID:15029

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₄
Molecular Mass
210.22646
Exact Mass
210.08920893
Charge
0
InChI
InChI=1S/C11H14O4/c1-13-10(12)8-4-6-9(7-5-8)11(14-2)15-3/h4-7,11H,1-3H3
InChIKey
YUTFBICAYRWLGQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)C(OC)OC
Isomeric Smiles
c1c(ccc(c1)C(=O)OC)C(OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.131402
LogD (pH = 7.4)
2.131402
Log P
2.131402
Molar Refractivity
55.4315
Polarizability
21.667206
Polar Surface Area
44.76
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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