Molecule

ID:54890

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂N₂
Molecular Mass
189.04194
Exact Mass
187.99080356
Charge
0
InChI
InChI=1S/C7H6Cl2N2/c1-2-3-5-6(8)10-4-11-7(5)9/h2,4H,1,3H2
InChIKey
PDLIUMXRLQCZRG-UHFFFAOYSA-N
Canonic Smiles
C=CCc1c(Cl)ncnc1Cl
Isomeric Smiles
c1nc(c(c(n1)Cl)CC=C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7967498
LogD (pH = 7.4)
2.7967498
Log P
2.7967498
Molar Refractivity
48.7418
Polarizability
17.75029
Polar Surface Area
25.78
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
No Data Available
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Molecule Details
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References
Bioactivity
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