Molecule

ID:18669

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂
Molecular Mass
142.24192
Exact Mass
142.14699859
Charge
0
InChI
InChI=1S/C8H18N2/c1-2-8(9)7-10-5-3-4-6-10/h8H,2-7,9H2,1H3
InChIKey
JGFPTUFHGRZOJJ-UHFFFAOYSA-N
Canonic Smiles
CCC(CN1CCCC1)N
Isomeric Smiles
N1(CC(N)CC)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.5117087
LogD (pH = 7.4)
-2.294517
Log P
0.73808056
Molar Refractivity
44.4217
Polarizability
17.811394
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