Molecule

ID:45725

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁ClN₂O₂
Molecular Mass
248.74964
Exact Mass
248.1291556
Charge
0
InChI
InChI=1S/C11H20N2O2.ClH/c14-11(9-3-7-15-8-4-9)13-10-1-5-12-6-2-10;/h9-10,12H,1-8H2,(H,13,14);1H
InChIKey
KMFYSOXSUOHEEJ-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCOCC1)NC1CCNCC1.Cl
Isomeric Smiles
C(=O)(NC1CCNCC1)C1CCOCC1.Cl
Calculated Properties
JChem
Acid pKa
15.836659
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.9620547
LogD (pH = 7.4)
-3.277746
Log P
-0.7418483
Molar Refractivity
58.2697
Polarizability
22.96912
Polar Surface Area
50.36
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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