Molecule

ID:16613

General Information
Structure
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c12-6-3-7-13-8-10-4-1-2-5-11(10)9-13/h1-2,4-5H,3,6-9,12H2
InChIKey
GZYPBRJGFKDLLK-UHFFFAOYSA-N
Canonic Smiles
NCCCN1Cc2c(C1)cccc2
Isomeric Smiles
c12c(CN(C1)CCCN)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.100328
LogD (pH = 7.4)
-2.020259
Log P
0.9288458
Molar Refractivity
55.9705
Polarizability
21.90116
Polar Surface Area
29.26
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