Molecule

ID:47149

General Information
Structure
Molecular Formula
C₁₁H₂₂ClNO₂
Molecular Mass
235.75088
Exact Mass
235.13390663
Charge
0
InChI
InChI=1S/C11H21NO2.ClH/c1-2-6-13-7-8-14-10-11-4-3-5-12-9-11;/h2,11-12H,1,3-10H2;1H
InChIKey
DBEKKWFVGOMWEW-UHFFFAOYSA-N
Canonic Smiles
C=CCOCCOCC1CCCNC1.Cl
Isomeric Smiles
N1CC(COCCOCC=C)CCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2744927
LogD (pH = 7.4)
-1.7595519
Log P
0.9547394
Molar Refractivity
58.0943
Polarizability
22.929539
Polar Surface Area
30.49
Rotatable Bonds
7
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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