Molecule

ID:19285

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₈N₂
Molecular Mass
224.38552
Exact Mass
224.22524891
Charge
0
InChI
InChI=1S/C14H28N2/c1-13-6-8-14(12-15,9-7-13)16-10-4-2-3-5-11-16/h13H,2-12,15H2,1H3
InChIKey
ZUCZUKWXTNZAFK-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCC(CC1)C)N1CCCCCC1
Isomeric Smiles
N1(C2(CCC(CC2)C)CN)CCCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4266633
LogD (pH = 7.4)
-0.572018
Log P
2.6981788
Molar Refractivity
70.1333
Polarizability
28.150137
Polar Surface Area
29.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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