Molecule

ID:129480

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₄
Molecular Mass
210.22646
Exact Mass
210.08920893
Charge
0
InChI
InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3
InChIKey
LZFOPEXOUVTGJS-UHFFFAOYSA-N
Canonic Smiles
OCC=Cc1cc(OC)c(c(c1)OC)O
Isomeric Smiles
OC/C=C/c1cc(OC)c(O)c(OC)c1
Calculated Properties
JChem
LogD (pH = 7.4)
1.19
LogD (pH = 5.5)
1.20
Log P
1.20
Rotatable Bonds
4
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
9.40
Polar Surface Area
58.92
Polarizability
22.24
Molar Refractivity
58.10
LOG S
-1.41
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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