Molecule

ID:8646

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₄
Molecular Mass
210.22646
Exact Mass
210.08920893
Charge
0
InChI
InChI=1S/C11H14O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h4-5,7H,3,6H2,1-2H3,(H,12,13)
InChIKey
JENQUCZZZGYHRW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1CCC(=O)O)OC
Isomeric Smiles
c1(cc(c(cc1)OC)CCC(=O)O)OC
Calculated Properties
JChem
LogD (pH = 7.4)
-1.41
LogD (pH = 5.5)
0.25
Log P
1.74
Rotatable Bonds
5
H Donor
1
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
4.02
Polar Surface Area
55.76
Polarizability
21.79
Molar Refractivity
54.89
LOG S
-1.42
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation