Molecule

ID:48038

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈Cl₂N₂O
Molecular Mass
229.14732
Exact Mass
228.07961857
Charge
0
InChI
InChI=1S/C8H16N2O.2ClH/c1-2-9-7-8(1)10-3-5-11-6-4-10;;/h8-9H,1-7H2;2*1H
InChIKey
JOKGCNPIOYEVKV-UHFFFAOYSA-N
Canonic Smiles
O1CCN(CC1)C1CNCC1.Cl.Cl
Isomeric Smiles
N1(C2CCNC2)CCOCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.7765143
LogD (pH = 7.4)
-3.4477358
Log P
-0.44453254
Molar Refractivity
44.3536
Polarizability
17.75141
Polar Surface Area
24.5
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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