Molecule

ID:71016

General Information
Structure
Molecular Formula
C₈H₂₀Cl₂N₂
Molecular Mass
215.1638
Exact Mass
214.10035401
Charge
0
InChI
InChI=1S/C8H18N2.2ClH/c1-7(2)5-10-8(3,4)6-9-7;;/h9-10H,5-6H2,1-4H3;2*1H
InChIKey
UTQSSKNDEYSPCP-UHFFFAOYSA-N
Canonic Smiles
CC1(C)NCC(NC1)(C)C.Cl.Cl
Isomeric Smiles
N1C(CNC(C1)(C)C)(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.9415212
LogD (pH = 7.4)
-1.8342888
Log P
0.6654965
Molar Refractivity
43.5628
Polarizability
17.811394
Polar Surface Area
24.06
Rotatable Bonds
0
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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