Molecule

ID:48092

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄Cl₂N₂
Molecular Mass
255.22766
Exact Mass
254.13165414
Charge
0
InChI
InChI=1S/C11H22N2.2ClH/c1-2-8-13(7-1)9-5-11-4-3-6-12-10-11;;/h11-12H,1-10H2;2*1H
InChIKey
BEMWQLFAOHDHID-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CCN1CCCC1.Cl.Cl
Isomeric Smiles
N1(CCC2CNCCC2)CCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.5617976
LogD (pH = 7.4)
-4.404826
Log P
1.1448945
Molar Refractivity
57.1045
Polarizability
22.610828
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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