Molecule

ID:37286

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₄
Molecular Mass
272.29584
Exact Mass
272.10485899
Charge
0
InChI
InChI=1S/C16H16O4/c1-11-5-3-6-12(9-11)10-20-15-13(16(17)18)7-4-8-14(15)19-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKey
NYSPPGFFDAYOEW-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OCc1cccc(c1)C)C(=O)O
Isomeric Smiles
c1cc(c(c(c1)OC)OCc1cc(ccc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.476034
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.5386772
LogD (pH = 7.4)
0.17097539
Log P
3.5533807
Molar Refractivity
75.8944
Polarizability
29.046507
Polar Surface Area
55.76
Rotatable Bonds
5
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