Molecule

ID:20646

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁NO₂
Molecular Mass
187.27924
Exact Mass
187.15722892
Charge
0
InChI
InChI=1S/C10H21NO2/c1-2-12-6-7-13-9-10-4-3-5-11-8-10/h10-11H,2-9H2,1H3
InChIKey
NZMIRISQCTXKFG-UHFFFAOYSA-N
Canonic Smiles
CCOCCOCC1CCCNC1
Isomeric Smiles
N1CC(COCCOCC)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6489346
LogD (pH = 7.4)
-2.1339939
Log P
0.5802975
Molar Refractivity
53.6802
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
No Data Available
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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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