Molecule

ID:35859

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₄
Molecular Mass
208.21058
Exact Mass
208.07355886
Charge
0
InChI
InChI=1S/C11H12O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h3-7H,1-2H3,(H,12,13)/b6-3+
InChIKey
JPQWWJZORKTMIZ-ZZXKWVIFSA-N
Canonic Smiles
COc1ccc(cc1/C=C/C(=O)O)OC
Isomeric Smiles
C(=C\C(=O)O)/c1c(ccc(c1)OC)OC
Calculated Properties
JChem
Acid pKa
3.8716776
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.1877387
LogD (pH = 7.4)
-1.4072495
Log P
1.8207437
Molar Refractivity
55.9863
Polarizability
21.251213
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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