Molecule

ID:18366

General Information
Structure
Molecular Formula
C₁₀H₁₆N₂O₂
Molecular Mass
196.24624
Exact Mass
196.12117776
Charge
0
InChI
InChI=1S/C10H16N2O2/c11-9-1-3-10(4-2-9)12(5-7-13)6-8-14/h1-4,13-14H,5-8,11H2
InChIKey
ISCYHXYLVTWDJT-UHFFFAOYSA-N
Canonic Smiles
OCCN(c1ccc(cc1)N)CCO
Isomeric Smiles
c1(N(CCO)CCO)ccc(N)cc1
Calculated Properties
JChem
Acid pKa
15.27807
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.62719893
LogD (pH = 7.4)
-0.13962054
Log P
-0.12784031
Molar Refractivity
57.7716
Polarizability
21.215553
Polar Surface Area
69.72
Rotatable Bonds
5
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