Molecule

ID:46426

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClNO₂
Molecular Mass
209.7136
Exact Mass
209.11825657
Charge
0
InChI
InChI=1S/C9H19NO2.ClH/c1-11-5-2-6-12-8-9-3-4-10-7-9;/h9-10H,2-8H2,1H3;1H
InChIKey
UXPXOYHGDFGRFB-UHFFFAOYSA-N
Canonic Smiles
COCCCOCC1CNCC1.Cl
Isomeric Smiles
N1CC(COCCCOC)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.4015973
LogD (pH = 7.4)
-3.2949877
Log P
-0.16111933
Molar Refractivity
49.196
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
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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