Molecule

ID:45125

General Information
Structure
MolImage
Molecular Formula
C₅H₄Cl₂N₂
Molecular Mass
163.00466
Exact Mass
161.9751535
Charge
0
InChI
InChI=1S/C5H4Cl2N2/c6-4-3(8)1-2-9-5(4)7/h1-2H,(H2,8,9)
InChIKey
DVUKWILERQFZFC-UHFFFAOYSA-N
Canonic Smiles
Clc1c(N)ccnc1Cl
Isomeric Smiles
c1(c(nccc1N)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3502742
LogD (pH = 7.4)
1.3548552
Log P
1.354914
Molar Refractivity
39.2724
Polarizability
14.500697
Polar Surface Area
38.91
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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