Molecule

ID:65075

General Information
Structure
MolImage
Molecular Formula
C₉H₄BrCl₂N
Molecular Mass
276.94476
Exact Mass
274.89041649
Charge
0
InChI
InChI=1S/C9H4BrCl2N/c10-6-1-2-7-5(3-6)4-8(11)13-9(7)12/h1-4H
InChIKey
YRSSIZNHQQNESH-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)cc(nc2Cl)Cl
Isomeric Smiles
c1c(cc2c(c1)c(nc(c2)Cl)Cl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1622467
LogD (pH = 7.4)
4.1622467
Log P
4.1622467
Molar Refractivity
59.7063
Polarizability
23.60598
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
References
Bioactivity
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