Molecule

ID:54901

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂N₂
Molecular Mass
189.04194
Exact Mass
187.99080356
Charge
0
InChI
InChI=1S/C7H6Cl2N2/c8-5-3-6(9)11-7(10-5)4-1-2-4/h3-4H,1-2H2
InChIKey
YBOWZANEONZCOL-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(nc(c1)Cl)C1CC1
Isomeric Smiles
c1(nc(cc(n1)Cl)Cl)C1CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9850953
LogD (pH = 7.4)
2.9850957
Log P
2.9850957
Molar Refractivity
46.4781
Polarizability
17.2166
Polar Surface Area
25.78
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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