Molecule

ID:47921

General Information
Structure
MolImage
Molecular Formula
C₈H₂₀Cl₂N₂
Molecular Mass
215.1638
Exact Mass
214.10035401
Charge
0
InChI
InChI=1S/C8H18N2.2ClH/c1-10(2)7-8-4-3-5-9-6-8;;/h8-9H,3-7H2,1-2H3;2*1H
InChIKey
KKIHUFVKZOTRSS-UHFFFAOYSA-N
Canonic Smiles
CN(CC1CCCNC1)C.Cl.Cl
Isomeric Smiles
N1CC(CN(C)C)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.551058
LogD (pH = 7.4)
-3.4077182
Log P
0.33608514
Molar Refractivity
44.8637
Polarizability
17.811394
Polar Surface Area
15.27
Rotatable Bonds
2
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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