Molecule

ID:63741

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClIN₃
Molecular Mass
279.46559
Exact Mass
278.90602279
Charge
0
InChI
InChI=1S/C6H3ClIN3/c7-6-5-1-4(8)2-11(5)10-3-9-6/h1-3H
InChIKey
IAXOZWTXSDGIEI-UHFFFAOYSA-N
Canonic Smiles
Ic1cn2c(c1)c(Cl)ncn2
Isomeric Smiles
n1c(c2n(nc1)cc(c2)I)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5505102
LogD (pH = 7.4)
2.5505114
Log P
2.5505114
Molar Refractivity
64.0277
Polarizability
20.365698
Polar Surface Area
30.19
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
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References
Bioactivity
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