Molecule

ID:52916

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O₃
Molecular Mass
182.21636
Exact Mass
182.09429431
Charge
0
InChI
InChI=1S/C10H14O3/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-6,11H,3,7H2,1-2H3
InChIKey
DPHGMDVPFZLOBU-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(CO)ccc1OC
Isomeric Smiles
c1(c(ccc(c1)CO)OC)OCC
Calculated Properties
JChem
Acid pKa
14.950947
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2473614
LogD (pH = 7.4)
1.2473614
Log P
1.2473614
Molar Refractivity
50.5489
Polarizability
19.662907
Polar Surface Area
38.69
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
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation