Molecule

ID:48003

General Information
Structure
Molecular Formula
C₁₄H₂₂Cl₂N₂
Molecular Mass
289.24388
Exact Mass
288.11600407
Charge
0
InChI
InChI=1S/C14H20N2.2ClH/c1-2-8-14-12(5-1)6-4-10-16(14)13-7-3-9-15-11-13;;/h1-2,5,8,13,15H,3-4,6-7,9-11H2;2*1H
InChIKey
LAGQNJGGRGBTCI-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)N1CCCc2c1cccc2.Cl.Cl
Isomeric Smiles
N1(c2c(CCC1)cccc2)C1CNCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.51830274
LogD (pH = 7.4)
0.5081184
Log P
2.666908
Molar Refractivity
68.3328
Polarizability
26.222933
Polar Surface Area
15.27
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