Molecule

ID:54823

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆Cl₂N₂O
Molecular Mass
321.28574
Exact Mass
320.14221882
Charge
0
InChI
InChI=1S/C15H24N2O.2ClH/c18-12-8-15-13-16-9-11-17(15)10-4-7-14-5-2-1-3-6-14;;/h1-3,5-6,15-16,18H,4,7-13H2;2*1H
InChIKey
DPOBHNIXYULGMC-UHFFFAOYSA-N
Canonic Smiles
OCCC1CNCCN1CCCc1ccccc1.Cl.Cl
Isomeric Smiles
C1CN(C(CN1)CCO)CCCc1ccccc1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.921774
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.8878722
LogD (pH = 7.4)
-0.48352072
Log P
1.5415689
Molar Refractivity
75.54
Polarizability
29.79254
Polar Surface Area
35.5
Rotatable Bonds
6
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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