Molecule

ID:59676

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₅
Molecular Mass
262.25796
Exact Mass
262.08412355
Charge
0
InChI
InChI=1S/C14H14O5/c1-7-8(2)14(17)19-12-6-10(4-5-11(7)12)18-9(3)13(15)16/h4-6,9H,1-3H3,(H,15,16)
InChIKey
HMPAASQVCHUFME-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Oc1ccc2c(c1)oc(=O)c(c2C)C)C
Isomeric Smiles
c1(=O)c(c(c2c(o1)cc(OC(C(=O)O)C)cc2)C)C
Calculated Properties
JChem
Acid pKa
3.1737924
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.06550847
LogD (pH = 7.4)
-1.0825588
Log P
2.367381
Molar Refractivity
67.2294
Polarizability
26.139566
Polar Surface Area
72.83
Rotatable Bonds
3
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