Molecule

ID:36378

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂N₂O₄
Molecular Mass
306.35688
Exact Mass
306.15795719
Charge
0
InChI
InChI=1S/C16H22N2O4/c1-22-14-7-5-13(6-8-14)18(12-16(20)21)11-15(19)17-9-3-2-4-10-17/h5-8H,2-4,9-12H2,1H3,(H,20,21)
InChIKey
JZNGZJHUEWOZDP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)N1CCCCC1)CC(=O)O
Isomeric Smiles
C(=O)(N1CCCCC1)CN(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
4.190778
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.042943507
LogD (pH = 7.4)
-1.6693494
Log P
1.3703607
Molar Refractivity
82.8766
Polarizability
31.587145
Polar Surface Area
70.08
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