Molecule

ID:44618

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrClIN
Molecular Mass
318.33755
Exact Mass
316.81038675
Charge
0
InChI
InChI=1S/C5H2BrClIN/c6-3-2-9-5(7)1-4(3)8/h1-2H
InChIKey
TYBBZOZWSLKHMV-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1)I)Br
Isomeric Smiles
c1c(c(cnc1Cl)Br)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2774923
LogD (pH = 7.4)
3.2774923
Log P
3.2774923
Molar Refractivity
50.7525
Polarizability
19.895592
Polar Surface Area
12.89
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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