Molecule

ID:65620

General Information
Structure
Molecular Formula
C₅H₂Br₂ClN
Molecular Mass
271.33708
Exact Mass
268.82425075
Charge
0
InChI
InChI=1S/C5H2Br2ClN/c6-3-1-9-2-4(7)5(3)8/h1-2H
InChIKey
XNXHPEUZNXWWCH-UHFFFAOYSA-N
Canonic Smiles
Brc1cncc(c1Cl)Br
Isomeric Smiles
c1(cncc(c1Cl)Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8971097
LogD (pH = 7.4)
2.897123
Log P
2.8971233
Molar Refractivity
43.9515
Polarizability
17.478964
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
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Molecule Details
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References
Bioactivity
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