Molecule

ID:20716

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O
Molecular Mass
226.7026
Exact Mass
226.08729079
Charge
0
InChI
InChI=1S/C11H15ClN2O/c12-11-10(4-2-6-14-11)15-8-9-3-1-5-13-7-9/h2,4,6,9,13H,1,3,5,7-8H2
InChIKey
XNKOAGXYRIXLOZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ncccc1OCC1CCCNC1
Isomeric Smiles
c1(ncccc1OCC1CNCCC1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6538646
LogD (pH = 7.4)
-0.9962599
Log P
1.5680397
Molar Refractivity
61.106
Polarizability
23.907879
Polar Surface Area
34.15
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
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Molecule Details
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References
Bioactivity
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