Molecule

ID:62264

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁ClN₂O₂
Molecular Mass
248.74964
Exact Mass
248.1291556
Charge
0
InChI
InChI=1S/C11H20N2O2.ClH/c14-11(10-9-12-5-8-15-10)13-6-3-1-2-4-7-13;/h10,12H,1-9H2;1H
InChIKey
OIFUUTINXHRJID-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCCC1)C1CNCCO1.Cl
Isomeric Smiles
C(=O)(N1CCCCCC1)C1OCCNC1.Cl
Calculated Properties
JChem
Acid pKa
17.99253
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9794285
LogD (pH = 7.4)
-0.2830357
Log P
0.21390499
Molar Refractivity
57.9564
Polarizability
22.96912
Polar Surface Area
41.57
Rotatable Bonds
1
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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