Molecule

ID:18338

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂
Molecular Mass
142.24192
Exact Mass
142.14699859
Charge
0
InChI
InChI=1S/C8H18N2/c1-3-9-8-4-6-10(2)7-5-8/h8-9H,3-7H2,1-2H3
InChIKey
GJCMPLHRWWWPHN-UHFFFAOYSA-N
Canonic Smiles
CCNC1CCN(CC1)C
Isomeric Smiles
N1(CCC(CC1)NCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.964279
LogD (pH = 7.4)
-3.082337
Log P
0.19073561
Molar Refractivity
44.8931
Polarizability
17.811394
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