Molecule

ID:116940

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-3-15-9-8-14-13(10-15)12-7-5-4-6-11(12)2/h4-7,13-14H,3,8-10H2,1-2H3
InChIKey
WJGQXEDWHZUMFG-UHFFFAOYSA-N
Canonic Smiles
CCN1CCNC(C1)c1ccccc1C
Isomeric Smiles
C1(c2c(C)cccc2)NCCN(C1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.847178
LogD (pH = 7.4)
0.65791637
Log P
2.3087106
Molar Refractivity
64.8161
Polarizability
25.518597
Polar Surface Area
15.27
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