Molecule

ID:37300

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₄
Molecular Mass
210.22646
Exact Mass
210.08920893
Charge
0
InChI
InChI=1S/C11H14O4/c1-7(2)15-10-8(11(12)13)5-4-6-9(10)14-3/h4-7H,1-3H3,(H,12,13)
InChIKey
ICFABYWULDECIF-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OC(C)C)C(=O)O
Isomeric Smiles
c1cc(c(c(c1)OC)OC(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4794998
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.077494405
LogD (pH = 7.4)
-1.2925378
Log P
2.088869
Molar Refractivity
55.408
Polarizability
21.404638
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation