Molecule

ID:71284

General Information
Structure
Molecular Formula
C₅H₂ClI₂N
Molecular Mass
365.33802
Exact Mass
364.79652275
Charge
0
InChI
InChI=1S/C5H2ClI2N/c6-5-4(8)1-3(7)2-9-5/h1-2H
InChIKey
FVCKBKBSDFLXGY-UHFFFAOYSA-N
Canonic Smiles
Ic1cnc(c(c1)I)Cl
Isomeric Smiles
n1c(c(cc(c1)I)I)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4376843
LogD (pH = 7.4)
3.4376843
Log P
3.4376843
Molar Refractivity
56.4922
Polarizability
22.301777
Polar Surface Area
12.89
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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