Molecule

ID:50411

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆Cl₂N₂O
Molecular Mass
215.12074
Exact Mass
214.0639685
Charge
0
InChI
InChI=1S/C7H14N2O.2ClH/c1-3-10-4-2-9(1)7-5-8-6-7;;/h7-8H,1-6H2;2*1H
InChIKey
KTTHNJILQSHJHQ-UHFFFAOYSA-N
Canonic Smiles
O1CCN(CC1)C1CNC1.Cl.Cl
Isomeric Smiles
C1NCC1N1CCOCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.6760812
LogD (pH = 7.4)
-2.5702949
Log P
-0.5044923
Molar Refractivity
39.4882
Polarizability
15.91041
Polar Surface Area
24.5
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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