Molecule

ID:62007

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆Br₂N₂
Molecular Mass
358.15624
Exact Mass
356.04627284
Charge
0
InChI
InChI=1S/C12H24N2.2BrH/c13-9-8-12-7-3-4-10-14(12)11-5-1-2-6-11;;/h11-12H,1-10,13H2;2*1H
InChIKey
LCBXAGMCXHNFSU-UHFFFAOYSA-N
Canonic Smiles
NCCC1CCCCN1C1CCCC1.Br.Br
Isomeric Smiles
N1(C(CCN)CCCC1)C1CCCC1.Br.Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.3455105
LogD (pH = 7.4)
-2.515273
Log P
1.7179805
Molar Refractivity
61.0287
Polarizability
24.457176
Polar Surface Area
29.26
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