Molecule

ID:16102

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₄
Molecular Mass
206.1947
Exact Mass
206.0579088
Charge
0
InChI
InChI=1S/C11H10O4/c1-14-9-4-2-3-7-5-8(11(12)13)6-15-10(7)9/h2-5H,6H2,1H3,(H,12,13)
InChIKey
VAOZSTIKIWWEDB-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1OCC(=C2)C(=O)O
Isomeric Smiles
C1(=Cc2c(OC1)c(OC)ccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5838544
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.45682895
LogD (pH = 7.4)
-1.8945056
Log P
1.4541001
Molar Refractivity
53.8568
Polarizability
20.536139
Polar Surface Area
55.76
Rotatable Bonds
2
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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