Molecule

ID:30290

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆N₂O₆
Molecular Mass
378.41954
Exact Mass
378.17908656
Charge
0
InChI
InChI=1S/C19H26N2O6/c1-26-15-11-14(21-19(25)12-6-4-3-5-7-12)16(27-2)10-13(15)20-17(22)8-9-18(23)24/h10-12H,3-9H2,1-2H3,(H,20,22)(H,21,25)(H,23,24)
InChIKey
YPTWLOYLSBVFCO-UHFFFAOYSA-N
Canonic Smiles
COc1cc(NC(=O)C2CCCCC2)c(cc1NC(=O)CCC(=O)O)OC
Isomeric Smiles
c1(NC(=O)C2CCCCC2)cc(c(cc1OC)NC(=O)CCC(=O)O)OC
Calculated Properties
JChem
Acid pKa
3.469769
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
0.050969824
LogD (pH = 7.4)
-1.3125173
Log P
2.071689
Molar Refractivity
100.8059
Polarizability
37.88837
Polar Surface Area
113.96
Rotatable Bonds
8
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