Molecule

ID:48122

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₆Cl₂N₂
Molecular Mass
257.24354
Exact Mass
256.1473042
Charge
0
InChI
InChI=1S/C11H24N2.2ClH/c1-3-13(4-2)10-7-11-5-8-12-9-6-11;;/h11-12H,3-10H2,1-2H3;2*1H
InChIKey
KUYFESVKRSMBCY-UHFFFAOYSA-N
Canonic Smiles
CCN(CCC1CCNCC1)CC.Cl.Cl
Isomeric Smiles
N1CCC(CCN(CC)CC)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.336751
LogD (pH = 7.4)
-4.20119
Log P
1.3747592
Molar Refractivity
59.1377
Polarizability
23.35114
Polar Surface Area
15.27
Rotatable Bonds
5
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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