Molecule

ID:75381

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₄
Molecular Mass
208.21058
Exact Mass
208.07355886
Charge
0
InChI
InChI=1S/C11H12O4/c1-14-9-5-8(3-4-11(12)13)6-10(7-9)15-2/h3-7H,1-2H3,(H,12,13)
InChIKey
VLSRUFWCGBMYDJ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(/C=C/C(=O)O)cc(c1)OC
Isomeric Smiles
O(c1cc(cc(c1)/C=C/C(=O)O)OC)C
Calculated Properties
JChem
Acid pKa
4.06528
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.3738266
LogD (pH = 7.4)
-1.299695
Log P
1.8207437
Molar Refractivity
55.9863
Polarizability
21.250647
Polar Surface Area
55.76
Rotatable Bonds
4
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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