Molecule

ID:46424

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄ClNO₂
Molecular Mass
237.76676
Exact Mass
237.14955669
Charge
0
InChI
InChI=1S/C11H23NO2.ClH/c1-13-7-3-8-14-9-5-11-4-2-6-12-10-11;/h11-12H,2-10H2,1H3;1H
InChIKey
HRGBUHQQXYDFDL-UHFFFAOYSA-N
Canonic Smiles
COCCCOCCC1CCCNC1.Cl
Isomeric Smiles
N1CC(CCOCCCOC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.547861
LogD (pH = 7.4)
-2.1718183
Log P
0.68646127
Molar Refractivity
58.4968
Polarizability
23.170424
Polar Surface Area
30.49
Rotatable Bonds
7
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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