Molecule

ID:37303

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₄
Molecular Mass
272.29584
Exact Mass
272.10485899
Charge
0
InChI
InChI=1S/C16H16O4/c1-2-19-15-10-13(16(17)18)8-9-14(15)20-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,18)
InChIKey
MTMXDVSRZZAELA-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(ccc1OCc1ccccc1)C(=O)O
Isomeric Smiles
c1cc(cc(c1OCc1ccccc1)OCC)C(=O)O
Calculated Properties
JChem
Acid pKa
4.13206
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.0135849
LogD (pH = 7.4)
0.31825492
Log P
3.3967674
Molar Refractivity
75.6018
Polarizability
29.120098
Polar Surface Area
55.76
Rotatable Bonds
6
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