Molecule

ID:61644

General Information
Structure
MolImage
Molecular Formula
C₇H₄Cl₂N₂
Molecular Mass
187.02606
Exact Mass
185.9751535
Charge
0
InChI
InChI=1S/C7H4Cl2N2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11)
InChIKey
QQZISIWJMCCCNH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(Cl)n[nH]2
Isomeric Smiles
c12c(n[nH]c1ccc(c2)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.494037
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.724573
LogD (pH = 7.4)
2.72454
Log P
2.7245743
Molar Refractivity
46.744
Polarizability
18.462704
Polar Surface Area
28.68
Rotatable Bonds
0
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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