Molecule

ID:13665

General Information
Structure
MolImage
Molecular Formula
C₅H₄Cl₂N₂
Molecular Mass
163.00466
Exact Mass
161.9751535
Charge
0
InChI
InChI=1S/C5H4Cl2N2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3
InChIKey
BTLKROSJMNFSQZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Cl)nc(n1)Cl
Isomeric Smiles
n1c(nc(cc1C)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9138774
LogD (pH = 7.4)
1.9138778
Log P
1.9138778
Molar Refractivity
38.6785
Polarizability
14.339428
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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