Molecule

ID:55650

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇Cl₂N₃
Molecular Mass
226.14668
Exact Mass
225.07995292
Charge
0
InChI
InChI=1S/C8H15N3.2ClH/c1-3-9-7-8-10-5-6-11(8)4-2;;/h5-6,9H,3-4,7H2,1-2H3;2*1H
InChIKey
ZOIGCJJLABCKLC-UHFFFAOYSA-N
Canonic Smiles
CCNCc1nccn1CC.Cl.Cl
Isomeric Smiles
c1(n(ccn1)CC)CNCC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9424971
LogD (pH = 7.4)
-0.28933862
Log P
0.42358306
Molar Refractivity
45.9817
Polarizability
17.793394
Polar Surface Area
29.85
Rotatable Bonds
4
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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