Molecule

ID:20736

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClNO₂
Molecular Mass
209.7136
Exact Mass
209.11825657
Charge
0
InChI
InChI=1S/C9H19NO2.ClH/c1-11-6-7-12-8-9-2-4-10-5-3-9;/h9-10H,2-8H2,1H3;1H
InChIKey
VSDDNNFKIUVBDK-UHFFFAOYSA-N
Canonic Smiles
COCCOCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(COCCOC)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.0494885
LogD (pH = 7.4)
-2.5887341
Log P
0.18193287
Molar Refractivity
49.0304
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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