Molecule
ID:24268
General Information
Molecular Formula
C₆H₁₆N₂O
Molecular Mass
132.20404
Exact Mass
132.12626314
Charge
0
InChI
InChI=1S/C6H16N2O/c7-3-1-4-8-5-2-6-9/h8-9H,1-7H2
InChIKey
LJSUIIHXGIFTAO-UHFFFAOYSA-N
Canonic Smiles
NCCCNCCCO
Isomeric Smiles
N(CCCO)CCCN
Calculated Properties
JChem
Acid pKa
15.93384
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-7.301249
LogD (pH = 7.4)
-5.281138
Log P
-1.5600448
Molar Refractivity
38.6663
Polarizability
15.452998
Polar Surface Area
58.28
Rotatable Bonds
6
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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