Molecule

ID:30836

General Information
Structure
MolImage
Molecular Formula
C₈H₂₀Cl₂N₂
Molecular Mass
215.1638
Exact Mass
214.10035401
Charge
0
InChI
InChI=1S/C8H18N2.2ClH/c1-10(7-6-9)8-4-2-3-5-8;;/h8H,2-7,9H2,1H3;2*1H
InChIKey
SZSKPYICNFMRNJ-UHFFFAOYSA-N
Canonic Smiles
NCCN(C1CCCC1)C.Cl.Cl
Isomeric Smiles
N(C1CCCC1)(CCN)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0705438
LogD (pH = 7.4)
-1.9015659
Log P
0.74788755
Molar Refractivity
44.3511
Polarizability
17.811394
Polar Surface Area
29.26
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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