Molecule

ID:48106

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₈Cl₂N₂
Molecular Mass
283.28082
Exact Mass
282.16295427
Charge
0
InChI
InChI=1S/C13H26N2.2ClH/c1-2-4-10-15(9-3-1)11-7-13-6-5-8-14-12-13;;/h13-14H,1-12H2;2*1H
InChIKey
ZKRGDNHUFXLTBP-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CCN1CCCCCC1.Cl.Cl
Isomeric Smiles
N1(CCC2CNCCC2)CCCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.65764
LogD (pH = 7.4)
-3.412547
Log P
2.0340319
Molar Refractivity
66.3065
Polarizability
26.303617
Polar Surface Area
15.27
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