Molecule

ID:44584

General Information
Structure
Molecular Formula
C₁₄H₂₀N₂
Molecular Mass
216.322
Exact Mass
216.16264865
Charge
0
InChI
InChI=1S/C14H20N2/c15-14-7-6-12-9-16(10-13(12)14)8-11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2
InChIKey
AZKBNPLDOBTBBR-UHFFFAOYSA-N
Canonic Smiles
NC1CCC2C1CN(C2)Cc1ccccc1
Isomeric Smiles
N1(CC2C(C1)CCC2N)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.6445813
LogD (pH = 7.4)
-2.7950313
Log P
1.5791849
Molar Refractivity
67.1119
Polarizability
26.70416
Polar Surface Area
29.26
Rotatable Bonds
2
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