Molecule

ID:64747

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClIN₃
Molecular Mass
279.46559
Exact Mass
278.90602279
Charge
0
InChI
InChI=1S/C6H3ClIN3/c7-5-4-2-1-3-11(4)10-6(8)9-5/h1-3H
InChIKey
ACSUHYOSODMNIG-UHFFFAOYSA-N
Canonic Smiles
Ic1nc(Cl)c2n(n1)ccc2
Isomeric Smiles
n1c(nc(c2n1ccc2)Cl)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6674275
LogD (pH = 7.4)
2.6674275
Log P
2.6674275
Molar Refractivity
63.3683
Polarizability
20.534517
Polar Surface Area
30.19
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
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Molecule Details
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References
Bioactivity
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