Molecule

ID:48112

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆Cl₂N₂
Molecular Mass
305.28634
Exact Mass
304.1473042
Charge
0
InChI
InChI=1S/C15H24N2.2ClH/c1-17(13-15-6-3-2-4-7-15)11-9-14-8-5-10-16-12-14;;/h2-4,6-7,14,16H,5,8-13H2,1H3;2*1H
InChIKey
MRHNIZPKHBHOPT-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1ccccc1)CCC1CCCNC1.Cl.Cl
Isomeric Smiles
N1CC(CCN(Cc2ccccc2)C)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.1585913
LogD (pH = 7.4)
-2.5068972
Log P
2.46357
Molar Refractivity
74.1761
Polarizability
29.294327
Polar Surface Area
15.27
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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