Molecule

ID:68273

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClIN₃
Molecular Mass
279.46559
Exact Mass
278.90602279
Charge
0
InChI
InChI=1S/C6H3ClIN3/c7-5-1-2-11-6(10-5)4(8)3-9-11/h1-3H
InChIKey
OPASGSRWIMSJGT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccn2c(n1)c(I)cn2
Isomeric Smiles
c12nc(ccn1ncc2I)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4061337
LogD (pH = 7.4)
2.406139
Log P
2.406139
Molar Refractivity
63.0022
Polarizability
19.782003
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
No Data Available
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Molecule Details
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References
Bioactivity
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