Molecule

ID:50065

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁ClN₂O₂
Molecular Mass
248.74964
Exact Mass
248.1291556
Charge
0
InChI
InChI=1S/C11H20N2O2.ClH/c14-11(10-2-1-5-12-10)13-8-9-3-6-15-7-4-9;/h9-10,12H,1-8H2,(H,13,14);1H
InChIKey
DPVOKMNMKWDWGU-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCN1)NCC1CCOCC1.Cl
Isomeric Smiles
C(=O)(NCC1CCOCC1)C1NCCC1.Cl
Calculated Properties
JChem
Acid pKa
15.702327
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.464792
LogD (pH = 7.4)
-2.6080465
Log P
-0.25862113
Molar Refractivity
58.0767
Polarizability
22.96912
Polar Surface Area
50.36
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
Molecule Details
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References
Bioactivity
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