Molecule

ID:18816

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁Cl₂N₃
Molecular Mass
184.06694
Exact Mass
183.03300273
Charge
0
InChI
InChI=1S/C5H9N3.2ClH/c1-8-5(4-6)2-3-7-8;;/h2-3H,4,6H2,1H3;2*1H
InChIKey
IBVDXCPXZDTYHJ-UHFFFAOYSA-N
Canonic Smiles
NCc1ccnn1C.Cl.Cl
Isomeric Smiles
c1cnn(c1CN)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.3797688
LogD (pH = 7.4)
-1.9112726
Log P
-0.55312455
Molar Refractivity
43.3123
Polarizability
12.259456
Polar Surface Area
43.84
Rotatable Bonds
1
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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