Molecule

ID:20922

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClNO₂
Molecular Mass
209.7136
Exact Mass
209.11825657
Charge
0
InChI
InChI=1S/C9H19NO2.ClH/c1-2-11-7-8-12-9-3-5-10-6-4-9;/h9-10H,2-8H2,1H3;1H
InChIKey
WJLRPHWPIVKSEC-UHFFFAOYSA-N
Canonic Smiles
CCOCCOC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CC1)OCCOCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.141795
LogD (pH = 7.4)
-2.453388
Log P
0.07814007
Molar Refractivity
48.961
Polarizability
19.48863
Polar Surface Area
30.49
Rotatable Bonds
5
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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