Molecule

ID:80242

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₃N₃
Molecular Mass
222.45918
Exact Mass
220.93143012
Charge
0
InChI
InChI=1S/C6H2Cl3N3/c7-3-2(1-10)12-6(9)4(8)5(3)11/h(H2,11,12)
InChIKey
AZYYQVGBVUCIEO-UHFFFAOYSA-N
Canonic Smiles
N#Cc1nc(Cl)c(c(c1Cl)N)Cl
Isomeric Smiles
n1c(c(c(c(c1C#N)Cl)N)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.200905
LogD (pH = 7.4)
2.200905
Log P
2.200905
Molar Refractivity
49.4268
Polarizability
18.381296
Polar Surface Area
62.7
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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