Molecule

ID:50063

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁ClN₂O₂
Molecular Mass
236.73894
Exact Mass
236.1291556
Charge
0
InChI
InChI=1S/C10H20N2O2.ClH/c1-10(2,11)9(13)12-7-8-3-5-14-6-4-8;/h8H,3-7,11H2,1-2H3,(H,12,13);1H
InChIKey
ROVXYGLBPANAHX-UHFFFAOYSA-N
Canonic Smiles
O=C(C(N)(C)C)NCC1CCOCC1.Cl
Isomeric Smiles
C(=O)(NCC1CCOCC1)C(N)(C)C.Cl
Calculated Properties
JChem
Acid pKa
15.769038
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.0911205
LogD (pH = 7.4)
-1.5671933
Log P
-0.30742514
Molar Refractivity
55.223
Polarizability
21.854008
Polar Surface Area
64.35
Rotatable Bonds
3
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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