Molecule

ID:44854

General Information
Structure
MolImage
Molecular Formula
C₅H₃Br₂N
Molecular Mass
236.89202
Exact Mass
234.8632231
Charge
0
InChI
InChI=1S/C5H3Br2N/c6-4-1-2-8-3-5(4)7/h1-3H
InChIKey
ZFZWZGANFCWADD-UHFFFAOYSA-N
Canonic Smiles
Brc1cnccc1Br
Isomeric Smiles
c1c(c(ccn1)Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2928045
LogD (pH = 7.4)
2.293075
Log P
2.2930787
Molar Refractivity
39.1467
Polarizability
15.433185
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
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Molecule Details
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References
Bioactivity
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