Molecule

ID:65198

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClIN₃
Molecular Mass
279.46559
Exact Mass
278.90602279
Charge
0
InChI
InChI=1S/C6H3ClIN3/c7-4-1-2-6-9-3-5(8)11(6)10-4/h1-3H
InChIKey
IWHCPHZAMFSDFM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(n1)c(I)cn2
Isomeric Smiles
c1c(nn2c(c1)ncc2I)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5651586
LogD (pH = 7.4)
2.6025994
Log P
2.6031015
Molar Refractivity
61.3011
Polarizability
19.839792
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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