Molecule

ID:78108

General Information
Structure
MolImage
Molecular Formula
C₄H₃Cl₂N₃
Molecular Mass
163.99272
Exact Mass
162.97040247
Charge
0
InChI
InChI=1S/C4H3Cl2N3/c5-2-1-8-9-4(6)3(2)7/h1H,(H2,7,8)
InChIKey
RPFJGTZUJUOCCL-UHFFFAOYSA-N
Canonic Smiles
Nc1c(Cl)cnnc1Cl
Isomeric Smiles
n1nc(c(c(c1)Cl)N)Cl
Calculated Properties
JChem
Acid pKa
19.777561
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.35905454
LogD (pH = 7.4)
0.37493768
Log P
0.375144
Molar Refractivity
39.1357
Polarizability
13.69579
Polar Surface Area
51.8
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
No Data Available
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Molecule Details
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References
Bioactivity
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