Molecule

ID:71991

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈Cl₂N₂O
Molecular Mass
229.14732
Exact Mass
228.07961857
Charge
0
InChI
InChI=1S/C8H16N2O.2ClH/c9-8(1-2-8)7-10-3-5-11-6-4-10;;/h1-7,9H2;2*1H
InChIKey
DWXMMFJOEFFHLW-UHFFFAOYSA-N
Canonic Smiles
NC1(CC1)CN1CCOCC1.Cl.Cl
Isomeric Smiles
C1C(C1)(N)CN1CCOCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.8037753
LogD (pH = 7.4)
-2.480689
Log P
-0.43598154
Molar Refractivity
44.1132
Polarizability
17.75141
Polar Surface Area
38.49
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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