Molecule

ID:47928

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₆Cl₂N₂
Molecular Mass
257.24354
Exact Mass
256.1473042
Charge
0
InChI
InChI=1S/C11H24N2.2ClH/c1-3-4-8-13(2)10-11-6-5-7-12-9-11;;/h11-12H,3-10H2,1-2H3;2*1H
InChIKey
MQOVDLZTEOPKQR-UHFFFAOYSA-N
Canonic Smiles
CCCCN(CC1CCCNC1)C.Cl.Cl
Isomeric Smiles
N1CC(CN(CCCC)C)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.427003
LogD (pH = 7.4)
-2.3805366
Log P
1.6599841
Molar Refractivity
58.7373
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
No Data Available
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Molecule Details
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References
Bioactivity
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