Molecule
ID:24498
General Information
Molecular Formula
C₈H₂₀N₂O
Molecular Mass
160.2572
Exact Mass
160.15756327
Charge
0
InChI
InChI=1S/C8H20N2O/c1-2-9-5-3-6-10-7-4-8-11/h9-11H,2-8H2,1H3
InChIKey
VWAKDWHKVINLEA-UHFFFAOYSA-N
Canonic Smiles
OCCCNCCCNCC
Isomeric Smiles
N(CCCO)CCCNCC
Calculated Properties
JChem
Acid pKa
15.933841
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-6.730966
LogD (pH = 7.4)
-4.7595267
Log P
-0.77065647
Molar Refractivity
48.1895
Polarizability
19.139801
Polar Surface Area
44.29
Rotatable Bonds
8
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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