Molecule

ID:59557

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₅
Molecular Mass
286.27936
Exact Mass
286.08412355
Charge
0
InChI
InChI=1S/C16H14O5/c1-7-9(3)20-13-6-14-11(4-10(7)13)8(2)12(5-15(17)18)16(19)21-14/h4,6H,5H2,1-3H3,(H,17,18)
InChIKey
WERSMYLCKDYTNS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
Isomeric Smiles
c1(c(c2c(oc1=O)cc1c(c(c(o1)C)C)c2)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.2637405
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2161806
LogD (pH = 7.4)
-0.5143538
Log P
2.4747376
Molar Refractivity
75.4861
Polarizability
29.646542
Polar Surface Area
76.74
Rotatable Bonds
2
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