Molecule

ID:21860

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO₂
Molecular Mass
159.22608
Exact Mass
159.12592879
Charge
0
InChI
InChI=1S/C8H17NO2/c10-6-2-1-3-9-4-7-11-8-5-9/h10H,1-8H2
InChIKey
URFFPMJFOHTCLI-UHFFFAOYSA-N
Canonic Smiles
OCCCCN1CCOCC1
Isomeric Smiles
N1(CCCCO)CCOCC1
Calculated Properties
JChem
Acid pKa
15.972566
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0848665
LogD (pH = 7.4)
-0.4682246
Log P
-0.14111058
Molar Refractivity
44.8649
Polarizability
17.57783
Polar Surface Area
32.7
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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