Molecule

ID:55282

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁ClN₂O₂
Molecular Mass
248.74964
Exact Mass
248.1291556
Charge
0
InChI
InChI=1S/C11H20N2O2.ClH/c12-11(14)9-1-5-13(6-2-9)10-3-7-15-8-4-10;/h9-10H,1-8H2,(H2,12,14);1H
InChIKey
GRJSLUYZELMTTB-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CCN(CC1)C1CCOCC1.Cl
Isomeric Smiles
N1(CCC(C(=O)N)CC1)C1CCOCC1.Cl
Calculated Properties
JChem
Acid pKa
16.53106
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.023953
LogD (pH = 7.4)
-2.979793
Log P
-0.5824764
Molar Refractivity
58.6677
Polarizability
22.96912
Polar Surface Area
55.56
Rotatable Bonds
2
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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