Molecule

ID:47154

General Information
Structure
Molecular Formula
C₁₀H₂₂ClNO₂
Molecular Mass
223.74018
Exact Mass
223.13390663
Charge
0
InChI
InChI=1S/C10H21NO2.ClH/c1-12-6-3-7-13-9-10-4-2-5-11-8-10;/h10-11H,2-9H2,1H3;1H
InChIKey
JMICMLMFLGLSOU-UHFFFAOYSA-N
Canonic Smiles
COCCCOCC1CCCNC1.Cl
Isomeric Smiles
N1CC(COCCCOC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.945783
LogD (pH = 7.4)
-2.4308424
Log P
0.28344932
Molar Refractivity
53.797
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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