Molecule

ID:47984

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₄Cl₂N₂
Molecular Mass
243.21696
Exact Mass
242.13165414
Charge
0
InChI
InChI=1S/C10H22N2.2ClH/c1-3-4-8-12(2)10-6-5-7-11-9-10;;/h10-11H,3-9H2,1-2H3;2*1H
InChIKey
NACVUUDLHIHVAY-UHFFFAOYSA-N
Canonic Smiles
CCCCN(C1CCCNC1)C.Cl.Cl
Isomeric Smiles
N1CC(N(CCCC)C)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2931387
LogD (pH = 7.4)
-0.9914894
Log P
1.6152296
Molar Refractivity
53.7973
Polarizability
21.50448
Polar Surface Area
15.27
Rotatable Bonds
4
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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