Molecule

ID:45864

General Information
Structure
Molecular Formula
C₁₁H₂₁ClN₂O
Molecular Mass
232.75024
Exact Mass
232.13424098
Charge
0
InChI
InChI=1S/C11H20N2O.ClH/c14-11(9-3-1-2-4-9)13-10-5-7-12-8-6-10;/h9-10,12H,1-8H2,(H,13,14);1H
InChIKey
RWEZJMFXVVOLLT-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCC1)NC1CCNCC1.Cl
Isomeric Smiles
C(=O)(NC1CCNCC1)C1CCCC1.Cl
Calculated Properties
JChem
Acid pKa
16.050127
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.7141285
LogD (pH = 7.4)
-2.029818
Log P
0.5060795
Molar Refractivity
56.1202
Polarizability
22.265976
Polar Surface Area
41.13
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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