Molecule

ID:48755

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁ClN₂O₂
Molecular Mass
236.73894
Exact Mass
236.1291556
Charge
0
InChI
InChI=1S/C10H20N2O2.ClH/c1-8(11)10(13)12(2)7-9-3-5-14-6-4-9;/h8-9H,3-7,11H2,1-2H3;1H
InChIKey
UEHKKKJAGWMLNA-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)N(CC1CCOCC1)C)N.Cl
Isomeric Smiles
C(=O)(N(CC1CCOCC1)C)C(N)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.1668365
LogD (pH = 7.4)
-1.5373689
Log P
-0.51651496
Molar Refractivity
55.4064
Polarizability
21.854008
Polar Surface Area
55.56
Rotatable Bonds
3
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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