Molecule

ID:45250

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂N₂
Molecular Mass
172.99948
Exact Mass
171.95950343
Charge
0
InChI
InChI=1S/C6H2Cl2N2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H
InChIKey
MUHBRCUFWMUBNP-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)cncc1Cl
Isomeric Smiles
c1c(c(c(cn1)Cl)C#N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8197589
LogD (pH = 7.4)
1.8197589
Log P
1.8197589
Molar Refractivity
39.2323
Polarizability
15.162939
Polar Surface Area
36.68
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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