Molecule
ID:23595
General Information
Molecular Formula
C₂₀H₂₂N₂O₃
Molecular Mass
338.40028
Exact Mass
338.16304257
Charge
0
InChI
InChI=1S/C20H22N2O3/c23-19(17-8-4-5-9-18(17)20(24)25)21-16-10-12-22(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,23)(H,24,25)
InChIKey
JFEINSDICLRSEN-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1C(=O)O)NC1CCN(CC1)Cc1ccccc1
Isomeric Smiles
C(=O)(c1c(C(=O)O)cccc1)NC1CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
Acid pKa
3.6160922
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.2767381
LogD (pH = 7.4)
-0.29388538
Log P
-0.2741653
Molar Refractivity
97.353
Polarizability
36.92343
Polar Surface Area
69.64
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...