Molecule

ID:20645

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉NO₂
Molecular Mass
173.25266
Exact Mass
173.14157885
Charge
0
InChI
InChI=1S/C9H19NO2/c1-11-5-6-12-8-9-3-2-4-10-7-9/h9-10H,2-8H2,1H3
InChIKey
QTRQPHPARKUFKA-UHFFFAOYSA-N
Canonic Smiles
COCCOCC1CCCNC1
Isomeric Smiles
N1CC(COCCOC)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.0057425
LogD (pH = 7.4)
-2.4908018
Log P
0.2234896
Molar Refractivity
48.9316
Polarizability
19.48863
Polar Surface Area
30.49
Rotatable Bonds
5
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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