Molecule

ID:48124

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆Cl₂N₂
Molecular Mass
269.25424
Exact Mass
268.1473042
Charge
0
InChI
InChI=1S/C12H24N2.2ClH/c1-2-9-14(10-3-1)11-6-12-4-7-13-8-5-12;;/h12-13H,1-11H2;2*1H
InChIKey
NXCDSHVXOZHKHQ-UHFFFAOYSA-N
Canonic Smiles
C1CCN(CC1)CCC1CCNCC1.Cl.Cl
Isomeric Smiles
N1(CCC2CCNCC2)CCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.183257
LogD (pH = 7.4)
-3.8466349
Log P
1.5115094
Molar Refractivity
61.7825
Polarizability
24.457176
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