Molecule

ID:48167

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆Cl₂N₂
Molecular Mass
269.25424
Exact Mass
268.1473042
Charge
0
InChI
InChI=1S/C12H24N2.2ClH/c1-14(10-11-7-8-13-9-11)12-5-3-2-4-6-12;;/h11-13H,2-10H2,1H3;2*1H
InChIKey
PGYWVINVZVPMOI-UHFFFAOYSA-N
Canonic Smiles
CN(C1CCCCC1)CC1CNCC1.Cl.Cl
Isomeric Smiles
N(CC1CNCC1)(C1CCCCC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.782808
LogD (pH = 7.4)
-3.1594267
Log P
1.690787
Molar Refractivity
61.2769
Polarizability
24.457176
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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