Molecule

ID:55312

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁ClN₂O₂
Molecular Mass
236.73894
Exact Mass
236.1291556
Charge
0
InChI
InChI=1S/C10H20N2O2.ClH/c1-3-14-10(13)12-6-4-9(5-7-12)8-11-2;/h9,11H,3-8H2,1-2H3;1H
InChIKey
HFQTWFLIVTUBCH-UHFFFAOYSA-N
Canonic Smiles
CNCC1CCN(CC1)C(=O)OCC.Cl
Isomeric Smiles
N1(C(=O)OCC)CCC(CC1)CNC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7342446
LogD (pH = 7.4)
-2.2827086
Log P
0.49752182
Molar Refractivity
55.6059
Polarizability
21.854008
Polar Surface Area
41.57
Rotatable Bonds
4
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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