Molecule

ID:36331

General Information
Structure
Molecular Formula
C₁₉H₂₂N₂O₅
Molecular Mass
358.38838
Exact Mass
358.15287181
Charge
0
InChI
InChI=1S/C19H22N2O5/c1-25-16-9-8-14(10-17(16)26-2)11-20-18(22)12-21(13-19(23)24)15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3,(H,20,22)(H,23,24)
InChIKey
GBMSQSDWXKFHDY-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CNC(=O)CN(c2ccccc2)CC(=O)O)ccc1OC
Isomeric Smiles
N(CC(=O)NCc1cc(c(cc1)OC)OC)(CC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.0334454
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
0.38572145
LogD (pH = 7.4)
-1.2764529
Log P
1.8631203
Molar Refractivity
96.9137
Polarizability
37.053013
Polar Surface Area
88.1
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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