Molecule

ID:47152

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClNO₂
Molecular Mass
209.7136
Exact Mass
209.11825657
Charge
0
InChI
InChI=1S/C9H19NO2.ClH/c1-11-6-3-7-12-9-4-2-5-10-8-9;/h9-10H,2-8H2,1H3;1H
InChIKey
UIMYBVFJTUKQOR-UHFFFAOYSA-N
Canonic Smiles
COCCCOC1CCCNC1.Cl
Isomeric Smiles
N1CC(OCCCOC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9517488
LogD (pH = 7.4)
-1.963508
Log P
0.23869479
Molar Refractivity
48.857
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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