Molecule

ID:48095

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆Cl₂N₂
Molecular Mass
269.25424
Exact Mass
268.1473042
Charge
0
InChI
InChI=1S/C12H24N2.2ClH/c1-2-8-14(9-3-1)10-6-12-5-4-7-13-11-12;;/h12-13H,1-11H2;2*1H
InChIKey
JISBLNUSOLMZEI-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CCN1CCCCC1.Cl.Cl
Isomeric Smiles
N1(CCC2CNCCC2)CCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.10757
LogD (pH = 7.4)
-3.848307
Log P
1.5894632
Molar Refractivity
61.7055
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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