Molecule

ID:68915

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂
Molecular Mass
128.21534
Exact Mass
128.13134852
Charge
0
InChI
InChI=1S/C7H16N2/c1-9-4-2-7(6-8)3-5-9/h7H,2-6,8H2,1H3
InChIKey
AGTPSAZJSOQXHJ-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(CC1)C
Isomeric Smiles
N1(CCC(CC1)CN)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-6.5555763
LogD (pH = 7.4)
-4.8843756
Log P
-0.13805199
Molar Refractivity
40.1879
Polarizability
15.965017
Polar Surface Area
29.26
Rotatable Bonds
1
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