Molecule

ID:101596

General Information
Structure
Molecular Formula
C₁₁H₈O₅
Molecular Mass
220.17822
Exact Mass
220.03717336
Charge
0
InChI
InChI=1S/C11H8O5/c1-15-7-3-2-6-4-8(10(12)13)11(14)16-9(6)5-7/h2-5H,1H3,(H,12,13)
InChIKey
VEEGNDSSWAOLFN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)oc(=O)c(c2)C(=O)O
Isomeric Smiles
c1(c(=O)oc2c(c1)ccc(c2)OC)C(=O)O
Calculated Properties
JChem
Acid pKa
2.9793415
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.2684354
LogD (pH = 7.4)
-2.2640617
Log P
1.2129314
Molar Refractivity
54.0861
Polarizability
20.658045
Polar Surface Area
72.83
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