Molecule

ID:47933

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆Cl₂N₂
Molecular Mass
269.25424
Exact Mass
268.1473042
Charge
0
InChI
InChI=1S/C12H24N2.2ClH/c1-11-4-7-14(8-5-11)10-12-3-2-6-13-9-12;;/h11-13H,2-10H2,1H3;2*1H
InChIKey
NBADNEYKWKTPDA-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)CC1CCCNC1.Cl.Cl
Isomeric Smiles
N1(CC2CNCCC2)CCC(CC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.699168
LogD (pH = 7.4)
-2.686129
Log P
1.4734703
Molar Refractivity
61.5543
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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