Molecule

ID:51513

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₄
Molecular Mass
272.29584
Exact Mass
272.10485899
Charge
0
InChI
InChI=1S/C16H16O4/c1-20-16(14(17)15(18)19,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14,17H,1H3,(H,18,19)
InChIKey
RQJWOLFMWKZKCJ-UHFFFAOYSA-N
Canonic Smiles
COC(C(C(=O)O)O)(c1ccccc1)c1ccccc1
Isomeric Smiles
C(C(c1ccccc1)(c1ccccc1)OC)(C(=O)O)O
Calculated Properties
JChem
Acid pKa
3.8647404
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.77845204
LogD (pH = 7.4)
-0.8133024
Log P
2.4181495
Molar Refractivity
74.1207
Polarizability
29.09948
Polar Surface Area
66.76
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