Molecule

ID:55640

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉Cl₂N₃
Molecular Mass
240.17326
Exact Mass
239.09560298
Charge
0
InChI
InChI=1S/C9H17N3.2ClH/c1-5-10-6-9-11-7(2)8(3)12(9)4;;/h10H,5-6H2,1-4H3;2*1H
InChIKey
UOEMCPIMUYRJJX-UHFFFAOYSA-N
Canonic Smiles
CCNCc1nc(c(n1C)C)C.Cl.Cl
Isomeric Smiles
n1c(n(c(c1C)C)C)CNCC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0723703
LogD (pH = 7.4)
-0.37954822
Log P
0.3977066
Molar Refractivity
50.9743
Polarizability
19.481012
Polar Surface Area
29.85
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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