Molecule
ID:74345
General Information
Molecular Formula
C₁₃H₂₈N₂
Molecular Mass
212.37482
Exact Mass
212.22524891
Charge
0
InChI
InChI=1S/C13H28N2/c1-3-5-7-13(8-6-4-2)15-11-9-14-10-12-15/h13-14H,3-12H2,1-2H3
InChIKey
CZWMOMPWEKTUJW-UHFFFAOYSA-N
Canonic Smiles
CCCCC(N1CCNCC1)CCCC
Isomeric Smiles
N1(CCNCC1)C(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.20219232
LogD (pH = 7.4)
0.5755
Log P
3.2509434
Molar Refractivity
67.3629
Polarizability
27.04461
Polar Surface Area
15.27
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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