Molecule

ID:91911

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₇
Molecular Mass
244.19808
Exact Mass
244.05830272
Charge
0
InChI
InChI=1S/C10H12O7/c1-3-15-9(13)7-5(11)6(12)8(17-7)10(14)16-4-2/h11-12H,3-4H2,1-2H3
InChIKey
JGCMPUKYPRCPRE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1oc(c(c1O)O)C(=O)OCC
Isomeric Smiles
o1c(c(c(c1C(=O)OCC)O)O)C(=O)OCC
Calculated Properties
JChem
Acid pKa
5.314434
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.966042
LogD (pH = 7.4)
0.45641786
Log P
2.3669329
Molar Refractivity
55.836
Polarizability
21.228785
Polar Surface Area
106.2
Rotatable Bonds
6
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