Molecule

ID:68049

General Information
Structure
MolImage
Molecular Formula
C₄H₃Cl₂N₃
Molecular Mass
163.99272
Exact Mass
162.97040247
Charge
0
InChI
InChI=1S/C4H3Cl2N3/c5-3-2(7)1-8-4(6)9-3/h1H,7H2
InChIKey
RINHVELYMZLXIW-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(n1)Cl)N
Isomeric Smiles
c1(nc(c(cn1)N)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.95358163
LogD (pH = 7.4)
0.9535817
Log P
0.9535817
Molar Refractivity
38.7874
Polarizability
13.766048
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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