Molecule
ID:33363
General Information
Molecular Formula
C₈H₁₇NO₂
Molecular Mass
159.22608
Exact Mass
159.12592879
Charge
0
InChI
InChI=1S/C8H17NO2/c1-8(2-5-10)9-3-6-11-7-4-9/h8,10H,2-7H2,1H3
InChIKey
SKNVZWRSIWZAAB-UHFFFAOYSA-N
Canonic Smiles
OCCC(N1CCOCC1)C
Isomeric Smiles
N1(C(CCO)C)CCOCC1
Calculated Properties
JChem
Acid pKa
15.924629
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.4167528
LogD (pH = 7.4)
-0.7133582
Log P
-0.24189824
Molar Refractivity
44.6391
Polarizability
17.57783
Polar Surface Area
32.7
Rotatable Bonds
3
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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