Molecule

ID:68630

General Information
Structure
Molecular Formula
C₄H₂Cl₂N₂
Molecular Mass
148.97808
Exact Mass
147.95950343
Charge
0
InChI
InChI=1S/C4H2Cl2N2/c5-3-1-4(6)8-7-2-3/h1-2H
InChIKey
JZSAUQMXKHBZEO-UHFFFAOYSA-N
Canonic Smiles
Clc1cnnc(c1)Cl
Isomeric Smiles
c1(cc(cnn1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2040693
LogD (pH = 7.4)
1.20407
Log P
1.20407
Molar Refractivity
34.4353
Polarizability
12.51646
Polar Surface Area
25.78
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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