Molecule

ID:68463

General Information
Structure
MolImage
Molecular Formula
C₈H₄ClIN₂
Molecular Mass
290.48823
Exact Mass
289.91077382
Charge
0
InChI
InChI=1S/C8H4ClIN2/c9-8-6-3-5(10)1-2-7(6)11-4-12-8/h1-4H
InChIKey
BDAIUOPDSRAOKI-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc2c(c1)c(Cl)ncn2
Isomeric Smiles
n1cnc(c2cc(ccc12)I)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1782274
LogD (pH = 7.4)
3.1782289
Log P
3.1782289
Molar Refractivity
58.0291
Polarizability
23.122448
Polar Surface Area
25.78
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
References
Bioactivity
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