Molecule

ID:47161

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClNO₂
Molecular Mass
209.7136
Exact Mass
209.11825657
Charge
0
InChI
InChI=1S/C9H19NO2.ClH/c1-2-5-11-6-7-12-9-3-4-10-8-9;/h9-10H,2-8H2,1H3;1H
InChIKey
HBSKITBONSNGEU-UHFFFAOYSA-N
Canonic Smiles
CCCOCCOC1CCNC1.Cl
Isomeric Smiles
N1CCC(OCCOCCC)C1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6934662
LogD (pH = 7.4)
-2.3124847
Log P
0.5407027
Molar Refractivity
48.6196
Polarizability
19.48863
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
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Molecule Details
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References
Bioactivity
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