Molecule

ID:76402

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇Cl₂N₃
Molecular Mass
226.14668
Exact Mass
225.07995292
Charge
0
InChI
InChI=1S/C8H15N3.2ClH/c1-7(2)8(9)5-11-4-3-10-6-11;;/h3-4,6-8H,5,9H2,1-2H3;2*1H
InChIKey
FGCKODUKAVOACI-UHFFFAOYSA-N
Canonic Smiles
CC(C(Cn1cncc1)N)C.Cl.Cl
Isomeric Smiles
Cl.Cl.n1cn(CC(N)C(C)C)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9643488
LogD (pH = 7.4)
-1.9575555
Log P
0.58553827
Molar Refractivity
45.2737
Polarizability
17.79587
Polar Surface Area
43.84
Rotatable Bonds
3
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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