Molecule

ID:69403

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClNO₂
Molecular Mass
209.7136
Exact Mass
209.11825657
Charge
0
InChI
InChI=1S/C9H19NO2.ClH/c1-2-12-9(11)7-5-3-4-6-8-10;/h2-8,10H2,1H3;1H
InChIKey
UJSRNPWHNTUQEH-UHFFFAOYSA-N
Canonic Smiles
NCCCCCCC(=O)OCC.Cl
Isomeric Smiles
C(=O)(CCCCCCN)OCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8093818
LogD (pH = 7.4)
-1.3896053
Log P
1.2146064
Molar Refractivity
48.7785
Polarizability
19.596916
Polar Surface Area
52.32
Rotatable Bonds
8
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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