Molecule

ID:13

General Information
Structure
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Molecular Formula
C₁₀H₂₆N₄
Molecular Mass
202.34024
Exact Mass
202.21574685
Charge
0
InChI
InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
InChIKey
PFNFFQXMRSDOHW-UHFFFAOYSA-N
Canonic Smiles
NCCCNCCCCNCCCN
Isomeric Smiles
N(CCCCNCCCN)CCCN
Calculated Properties
JChem
LogD (pH = 7.4)
-8.77
LogD (pH = 5.5)
-12.84
Log P
-1.45
Rotatable Bonds
11
H Donor
4
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
10.80
Polar Surface Area
76.10
Polarizability
26.39
Molar Refractivity
62.56
LOG S
0.91
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
No Data Available
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Molecule Details
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References
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Bioactivity
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