Molecule

ID:22455

General Information
Structure
MolImage
Molecular Formula
C₅H₄Cl₂N₂
Molecular Mass
163.00466
Exact Mass
161.9751535
Charge
0
InChI
InChI=1S/C5H4Cl2N2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2
InChIKey
MJVZSRZTBDMYLX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(n1)Cl)N
Isomeric Smiles
c1c(nc(c(c1)N)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5750911
LogD (pH = 7.4)
1.5750911
Log P
1.5750911
Molar Refractivity
40.3337
Polarizability
14.512138
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
References
Bioactivity
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