Molecule

ID:48071

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆Cl₂N₂
Molecular Mass
281.26494
Exact Mass
280.1473042
Charge
0
InChI
InChI=1S/C13H24N2.2ClH/c1-3-10-15(11-4-2)12-8-13-7-5-6-9-14-13;;/h3-4,13-14H,1-2,5-12H2;2*1H
InChIKey
HFELWCNWMVOSCJ-UHFFFAOYSA-N
Canonic Smiles
C=CCN(CCC1CCCCN1)CC=C.Cl.Cl
Isomeric Smiles
N1C(CCN(CC=C)CC=C)CCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8111663
LogD (pH = 7.4)
-0.89018226
Log P
2.2583587
Molar Refractivity
67.7155
Polarizability
26.580679
Polar Surface Area
15.27
Rotatable Bonds
7
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