Molecule

ID:38176

General Information
Structure
MolImage
Molecular Formula
C₈H₂₀Cl₂N₂O
Molecular Mass
231.1632
Exact Mass
230.09526863
Charge
0
InChI
InChI=1S/C8H18N2O.2ClH/c1-2-8-6-9-4-3-5-10(8)7-11;;/h8-9,11H,2-7H2,1H3;2*1H
InChIKey
WQARKPFMTJKYJE-UHFFFAOYSA-N
Canonic Smiles
CCC1CNCCCN1CO.Cl.Cl
Isomeric Smiles
C1NCCCN(C1CC)CO.Cl.Cl
Calculated Properties
JChem
Acid pKa
14.089131
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.3899913
LogD (pH = 7.4)
-2.4454882
Log P
0.073297195
Molar Refractivity
45.6535
Polarizability
18.407972
Polar Surface Area
35.5
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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