Molecule

ID:111011

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀Cl₂N₂
Molecular Mass
181.063
Exact Mass
180.02210369
Charge
0
InChI
InChI=1S/C6H8N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h1-4H,7-8H2;2*1H
InChIKey
IYXMNTLBLQNMLM-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N.Cl.Cl
Isomeric Smiles
Cl.Cl.Nc1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.66595453
LogD (pH = 7.4)
0.2688585
Log P
0.3153939
Molar Refractivity
35.4588
Polarizability
12.613847
Polar Surface Area
52.04
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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