Molecule

ID:19169

General Information
Structure
MolImage
Molecular Formula
C₅H₂Br₃N
Molecular Mass
315.78808
Exact Mass
312.77373507
Charge
0
InChI
InChI=1S/C5H2Br3N/c6-3-1-4(7)5(8)9-2-3/h1-2H
InChIKey
BBHYMJRPJFVNPI-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1)Br)Br
Isomeric Smiles
c1(cnc(c(c1)Br)Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2673533
LogD (pH = 7.4)
3.2673533
Log P
3.2673533
Molar Refractivity
47.6117
Polarizability
18.713316
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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