Molecule

ID:45760

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClNO₂
Molecular Mass
221.7243
Exact Mass
221.11825657
Charge
0
InChI
InChI=1S/C10H19NO2.ClH/c1-2-10(12)13-7-5-9-4-3-6-11-8-9;/h9,11H,2-8H2,1H3;1H
InChIKey
CHZRGMBLWTYYBD-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)OCCC1CCCNC1.Cl
Isomeric Smiles
C(=O)(OCCC1CNCCC1)CC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0623105
LogD (pH = 7.4)
-1.68626
Log P
1.1720117
Molar Refractivity
51.6151
Polarizability
20.710838
Polar Surface Area
38.33
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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