Molecule

ID:20737

General Information
Structure
Molecular Formula
C₁₀H₂₁NO₂
Molecular Mass
187.27924
Exact Mass
187.15722892
Charge
0
InChI
InChI=1S/C10H21NO2/c1-2-12-7-8-13-9-10-3-5-11-6-4-10/h10-11H,2-9H2,1H3
InChIKey
AQVXUNWXDLOUIO-UHFFFAOYSA-N
Canonic Smiles
CCOCCOCC1CCNCC1
Isomeric Smiles
N1CCC(COCCOCC)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6926806
LogD (pH = 7.4)
-2.2319262
Log P
0.5387408
Molar Refractivity
53.779
Polarizability
21.329054
Polar Surface Area
30.49
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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