Molecule

ID:48145

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆Cl₂N₂
Molecular Mass
317.29704
Exact Mass
316.1473042
Charge
0
InChI
InChI=1S/C16H24N2.2ClH/c1-2-6-16-15(4-1)5-3-12-18(16)13-9-14-7-10-17-11-8-14;;/h1-2,4,6,14,17H,3,5,7-13H2;2*1H
InChIKey
BFIGJAMRHADYAI-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)CCN1CCCc2c1cccc2.Cl.Cl
Isomeric Smiles
N1(c2c(CCC1)cccc2)CCC1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.54892546
LogD (pH = 7.4)
0.2546507
Log P
3.0367208
Molar Refractivity
78.0496
Polarizability
29.916065
Polar Surface Area
15.27
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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