Molecule

ID:64080

General Information
Structure
Molecular Formula
C₆H₁₄N₄
Molecular Mass
142.20216
Exact Mass
142.12184647
Charge
0
InChI
InChI=1S/C6H14N4/c7-5-3-1-2-4-6-9-10-8/h1-7H2
InChIKey
CLQMAUAPICAWGT-UHFFFAOYSA-N
Canonic Smiles
NCCCCCCN=[N+]=[N-]
Isomeric Smiles
NCCCCCCN=[N+]=[N-]
Calculated Properties
JChem
Acid pKa
4.69872
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1493483
LogD (pH = 7.4)
-1.7467551
Log P
-1.952205
Molar Refractivity
41.2156
Polarizability
15.567227
Polar Surface Area
55.45
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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