Molecule

ID:55203

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁Cl₂N₃
Molecular Mass
196.07764
Exact Mass
195.03300273
Charge
0
InChI
InChI=1S/C6H10ClN3.ClH/c1-2-10-6(3-8)5(7)4-9-10;/h4H,2-3,8H2,1H3;1H
InChIKey
HCQHMIWHUOEHTJ-UHFFFAOYSA-N
Canonic Smiles
NCc1c(Cl)cnn1CC.Cl
Isomeric Smiles
n1(c(c(cn1)Cl)CN)CC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3149693
LogD (pH = 7.4)
-0.73298043
Log P
0.40772808
Molar Refractivity
52.8657
Polarizability
16.026245
Polar Surface Area
43.84
Rotatable Bonds
2
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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