Molecule

ID:48146

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(14-16-6-4-3-5-7-16)13-10-15-8-11-17-12-9-15;;/h3-7,15,17H,2,8-14H2,1H3;2*1H
InChIKey
RRMTUVRGPLHAJC-UHFFFAOYSA-N
Canonic Smiles
CCN(Cc1ccccc1)CCC1CCNCC1.Cl.Cl
Isomeric Smiles
N1CCC(CCN(Cc2ccccc2)CC)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.9284804
LogD (pH = 7.4)
-2.415006
Log P
2.7424245
Molar Refractivity
79.0017
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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