Molecule

ID:36428

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₃
Molecular Mass
264.3202
Exact Mass
264.14739251
Charge
0
InChI
InChI=1S/C14H20N2O3/c1-3-15(4-2)13(17)10-16(11-14(18)19)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)
InChIKey
NJAVLLUHKUQZIA-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)CN(c1ccccc1)CC(=O)O)CC
Isomeric Smiles
C(=O)(CN(CC(=O)O)c1ccccc1)N(CC)CC
Calculated Properties
JChem
Acid pKa
4.5032086
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.35407674
LogD (pH = 7.4)
-1.4151033
Log P
1.3912817
Molar Refractivity
73.7686
Polarizability
27.934649
Polar Surface Area
60.85
Rotatable Bonds
7
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