Molecule

ID:48089

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₈Cl₂N₂
Molecular Mass
319.31292
Exact Mass
318.16295427
Charge
0
InChI
InChI=1S/C16H26N2.2ClH/c1-2-18(14-15-8-4-3-5-9-15)13-11-16-10-6-7-12-17-16;;/h3-5,8-9,16-17H,2,6-7,10-14H2,1H3;2*1H
InChIKey
DJYNWEXKNFSCKS-UHFFFAOYSA-N
Canonic Smiles
CCN(Cc1ccccc1)CCC1CCCCN1.Cl.Cl
Isomeric Smiles
N1C(CCN(Cc2ccccc2)CC)CCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8900492
LogD (pH = 7.4)
-0.7820711
Log P
2.87714
Molar Refractivity
78.7513
Polarizability
31.141335
Polar Surface Area
15.27
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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