Molecule

ID:67661

General Information
Structure
MolImage
Molecular Formula
C₄H₃Cl₂N₃
Molecular Mass
163.99272
Exact Mass
162.97040247
Charge
0
InChI
InChI=1S/C4H3Cl2N3/c5-2-1-3(7)9-4(6)8-2/h1H,(H2,7,8,9)
InChIKey
UPVBKNZVOJNQKE-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(Cl)nc(n1)Cl
Isomeric Smiles
c1(nc(cc(n1)Cl)N)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5480343
LogD (pH = 7.4)
1.5480392
Log P
1.5480392
Molar Refractivity
39.1009
Polarizability
13.769768
Polar Surface Area
51.8
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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