Molecule

ID:24443

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₈N₂
Molecular Mass
200.36412
Exact Mass
200.22524891
Charge
0
InChI
InChI=1S/C12H28N2/c1-3-5-6-7-8-10-14-12-9-11-13-4-2/h13-14H,3-12H2,1-2H3
InChIKey
WANOHQFDYKUULD-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCNCCCNCC
Isomeric Smiles
N(CCCNCCCCCCC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.6436236
LogD (pH = 7.4)
-1.8608994
Log P
2.5170908
Molar Refractivity
64.7084
Polarizability
25.940214
Polar Surface Area
24.06
Rotatable Bonds
11
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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