Molecule

ID:33562

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆N₂
Molecular Mass
210.35894
Exact Mass
210.20959884
Charge
0
InChI
InChI=1S/C13H26N2/c1-14-12-13(8-4-2-5-9-13)15-10-6-3-7-11-15/h14H,2-12H2,1H3
InChIKey
YVTRGSINXCANDK-UHFFFAOYSA-N
Canonic Smiles
CNCC1(CCCCC1)N1CCCCC1
Isomeric Smiles
N1(C2(CNC)CCCCC2)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0626454
LogD (pH = 7.4)
-0.6174972
Log P
2.3991714
Molar Refractivity
65.7583
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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