Molecule

ID:91074

General Information
Structure
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Molecular Formula
C₆H₁₆N₂
Molecular Mass
116.20464
Exact Mass
116.13134852
Charge
0
InChI
InChI=1S/C6H16N2/c1-2-3-5-8-6-4-7/h8H,2-7H2,1H3
InChIKey
DFPGBRPWDZFIPP-UHFFFAOYSA-N
Canonic Smiles
CCCCNCCN
Isomeric Smiles
N(CCCC)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.5356936
LogD (pH = 7.4)
-2.5455322
Log P
0.33403674
Molar Refractivity
36.5168
Polarizability
14.858968
Polar Surface Area
38.05
Rotatable Bonds
5
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
No Data Available
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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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