Molecule

ID:48035

General Information
Structure
MolImage
Molecular Formula
C₈H₂₀Cl₂N₂
Molecular Mass
215.1638
Exact Mass
214.10035401
Charge
0
InChI
InChI=1S/C8H18N2.2ClH/c1-3-10(4-2)8-5-6-9-7-8;;/h8-9H,3-7H2,1-2H3;2*1H
InChIKey
FZJHRPNWBMMLHL-UHFFFAOYSA-N
Canonic Smiles
CCN(C1CNCC1)CC.Cl.Cl
Isomeric Smiles
N1CC(N(CC)CC)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.240121
LogD (pH = 7.4)
-2.5417979
Log P
0.48758382
Molar Refractivity
44.7763
Polarizability
17.811394
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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