Molecule

ID:38274

General Information
Structure
MolImage
Molecular Formula
C₈H₂₀Cl₂N₂O
Molecular Mass
231.1632
Exact Mass
230.09526863
Charge
0
InChI
InChI=1S/C8H18N2O.2ClH/c1-10(6-7-11)8-2-4-9-5-3-8;;/h8-9,11H,2-7H2,1H3;2*1H
InChIKey
DGPUINMSKCVTOA-UHFFFAOYSA-N
Canonic Smiles
OCCN(C1CCNCC1)C.Cl.Cl
Isomeric Smiles
N1CCC(N(CCO)C)CC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.593301
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-6.442791
LogD (pH = 7.4)
-4.2268267
Log P
-0.85617435
Molar Refractivity
46.4368
Polarizability
18.407972
Polar Surface Area
35.5
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
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