Molecule

ID:78033

General Information
Structure
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-4-13(5-2)11-8-6-10(12-3)7-9-11/h6-9H,4-5H2,1-2H3
InChIKey
WWZBRTRCXPSQJV-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)[N+]#[C-])CC
Isomeric Smiles
[N+](#[C-])c1ccc(cc1)N(CC)CC
Calculated Properties
JChem
Acid pKa
16.64841
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.52120954
LogD (pH = 7.4)
0.52120924
Log P
0.52120924
Molar Refractivity
63.8652
Polarizability
21.044807
Polar Surface Area
7.6
Rotatable Bonds
3
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