Molecule
ID:51205
General Information
Molecular Formula
C₈H₁₈N₂O₂
Molecular Mass
174.24072
Exact Mass
174.13682783
Charge
0
InChI
InChI=1S/C8H18N2O2/c1-2-9-8(12)10-6-4-3-5-7-11/h11H,2-7H2,1H3,(H2,9,10,12)
InChIKey
NOPCFVBPJQIXKO-UHFFFAOYSA-N
Canonic Smiles
OCCCCCNC(=O)NCC
Isomeric Smiles
C(=O)(NCC)NCCCCCO
Calculated Properties
JChem
Acid pKa
15.51159
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
-0.22788478
LogD (pH = 7.4)
-0.22788471
Log P
-0.22788471
Molar Refractivity
48.0879
Polarizability
18.45208
Polar Surface Area
61.36
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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