Molecule

ID:24468

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆N₂
Molecular Mass
198.34824
Exact Mass
198.20959884
Charge
0
InChI
InChI=1S/C12H26N2/c1-3-13-10-7-11-14(2)12-8-5-4-6-9-12/h12-13H,3-11H2,1-2H3
InChIKey
RUTCQQXZNLCDRZ-UHFFFAOYSA-N
Canonic Smiles
CCNCCCN(C1CCCCC1)C
Isomeric Smiles
N(C1CCCCC1)(CCCNCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.1559463
LogD (pH = 7.4)
-2.2029817
Log P
2.0418043
Molar Refractivity
63.3407
Polarizability
25.197851
Polar Surface Area
15.27
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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