Molecule

ID:58144

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉NO₂
Molecular Mass
173.25266
Exact Mass
173.14157885
Charge
0
InChI
InChI=1S/C9H19NO2/c1-12-6-5-10-4-2-3-9(7-10)8-11/h9,11H,2-8H2,1H3
InChIKey
WQIIVOMLZRWTBB-UHFFFAOYSA-N
Canonic Smiles
COCCN1CCCC(C1)CO
Isomeric Smiles
C1CN(CC(C1)CO)CCOC
Calculated Properties
JChem
Acid pKa
15.431462
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.3015575
LogD (pH = 7.4)
-1.7785901
Log P
-0.036588974
Molar Refractivity
49.4751
Polarizability
19.416607
Polar Surface Area
32.7
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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