Molecule

ID:59609

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₅
Molecular Mass
286.27936
Exact Mass
286.08412355
Charge
0
InChI
InChI=1S/C16H14O5/c1-7-6-20-14-9(3)15-11(4-10(7)14)8(2)12(5-13(17)18)16(19)21-15/h4,6H,5H2,1-3H3,(H,17,18)
InChIKey
ZOOJCXUILZIBLD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C
Isomeric Smiles
c12c(c(c(c(=O)o1)CC(=O)O)C)cc1c(c2C)occ1C
Calculated Properties
JChem
Acid pKa
4.448464
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7015517
LogD (pH = 7.4)
-0.061579686
Log P
2.7885978
Molar Refractivity
75.3776
Polarizability
29.649143
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