Molecule

ID:17466

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃NO₇
Molecular Mass
389.39912
Exact Mass
389.14745208
Charge
0
InChI
InChI=1S/C20H23NO7/c1-25-15-7-5-12(9-17(15)27-3)14(11-19(22)23)21-20(24)13-6-8-16(26-2)18(10-13)28-4/h5-10,14H,11H2,1-4H3,(H,21,24)(H,22,23)
InChIKey
FNNFAEUEMHYZNE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1OC)C(NC(=O)c1ccc(c(c1)OC)OC)CC(=O)O
Isomeric Smiles
c1(C(NC(=O)c2cc(c(cc2)OC)OC)CC(=O)O)cc(c(cc1)OC)OC
Calculated Properties
JChem
Acid pKa
3.486585
H Acceptors
7
H Donor
2
LogD (pH = 5.5)
-0.08847405
LogD (pH = 7.4)
-1.463241
Log P
1.9161134
Molar Refractivity
100.9527
Polarizability
38.937756
Polar Surface Area
103.32
Rotatable Bonds
9
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