Molecule

ID:30714

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₈Cl₂N₂O₂
Molecular Mass
315.27962
Exact Mass
314.15278351
Charge
0
InChI
InChI=1S/C13H26N2O2.2ClH/c16-12(10-15-8-6-14-7-9-15)11-17-13-4-2-1-3-5-13;;/h12-14,16H,1-11H2;2*1H
InChIKey
HMVIZIIUVPCYIO-UHFFFAOYSA-N
Canonic Smiles
OC(CN1CCNCC1)COC1CCCCC1.Cl.Cl
Isomeric Smiles
N1(CC(COC2CCCCC2)O)CCNCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
14.097355
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.4261396
LogD (pH = 7.4)
-1.0873091
Log P
0.7762012
Molar Refractivity
68.7637
Polarizability
27.579607
Polar Surface Area
44.73
Rotatable Bonds
5
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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