Molecule

ID:90259

General Information
Structure
MolImage
Molecular Formula
C₅H₄Cl₂N₂
Molecular Mass
163.00466
Exact Mass
161.9751535
Charge
0
InChI
InChI=1S/C5H4Cl2N2/c6-3-1-5(8)9-2-4(3)7/h1-2H,(H2,8,9)
InChIKey
CRRAQLWJVYODCL-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc(c(c1)Cl)Cl
Isomeric Smiles
n1c(cc(c(c1)Cl)Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.717372
LogD (pH = 7.4)
1.7290434
Log P
1.7291943
Molar Refractivity
38.5246
Polarizability
14.435658
Polar Surface Area
38.91
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
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References
Bioactivity
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