Molecule

ID:47996

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆Cl₂N₂
Molecular Mass
269.25424
Exact Mass
268.1473042
Charge
0
InChI
InChI=1S/C12H24N2.2ClH/c1-14(11-6-3-2-4-7-11)12-8-5-9-13-10-12;;/h11-13H,2-10H2,1H3;2*1H
InChIKey
DPIJPZZXDPONBH-UHFFFAOYSA-N
Canonic Smiles
CN(C1CCCNC1)C1CCCCC1.Cl.Cl
Isomeric Smiles
N(C1CNCCC1)(C1CCCCC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1065576
LogD (pH = 7.4)
-0.7224668
Log P
2.0906012
Molar Refractivity
60.9379
Polarizability
24.457176
Polar Surface Area
15.27
Rotatable Bonds
2
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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