Molecule

ID:69034

General Information
Structure
MolImage
Molecular Formula
C₅H₄Cl₂N₂
Molecular Mass
163.00466
Exact Mass
161.9751535
Charge
0
InChI
InChI=1S/C5H4Cl2N2/c6-3-4-5(7)9-2-1-8-4/h1-2H,3H2
InChIKey
YQGZWZWIEBRCJW-UHFFFAOYSA-N
Canonic Smiles
ClCc1nccnc1Cl
Isomeric Smiles
c1(c(nccn1)CCl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0308367
LogD (pH = 7.4)
1.0308368
Log P
1.0308368
Molar Refractivity
36.955
Polarizability
14.252939
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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