Molecule

ID:18868

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆Cl₂N₂O₂
Molecular Mass
313.26374
Exact Mass
312.13713344
Charge
0
InChI
InChI=1S/C13H24N2O2.2ClH/c1-2-17-13(16)11-4-3-9-15(10-11)12-5-7-14-8-6-12;;/h11-12,14H,2-10H2,1H3;2*1H
InChIKey
PUIXJBHGGDRHMB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCCN(C1)C1CCNCC1.Cl.Cl
Isomeric Smiles
N1(CC(C(=O)OCC)CCC1)C1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.939851
LogD (pH = 7.4)
-2.7293746
Log P
0.5656478
Molar Refractivity
67.8901
Polarizability
27.033255
Polar Surface Area
41.57
Rotatable Bonds
4
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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