Molecule

ID:76747

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₄
Molecular Mass
208.21058
Exact Mass
208.07355886
Charge
0
InChI
InChI=1S/C11H12O4/c1-8-11(2,15-10(12)14-8)6-5-9-4-3-7-13-9/h3-4,7H,1,5-6H2,2H3
InChIKey
ILMWWGHWJGRLHO-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=C)C(O1)(C)CCc1ccco1
Isomeric Smiles
O1C(=C)C(OC1=O)(CCc1ccco1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2929063
LogD (pH = 7.4)
2.2929063
Log P
2.2929063
Molar Refractivity
52.652
Polarizability
20.546417
Polar Surface Area
48.67
Rotatable Bonds
3
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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