Molecule

ID:75672

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrCl₂N₂
Molecular Mass
267.938
Exact Mass
265.90131553
Charge
0
InChI
InChI=1S/C7H4BrClN2.ClH/c8-6-3-5(9)4-11-2-1-10-7(6)11;/h1-4H;1H
InChIKey
BRMLRSUISXDAMX-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Br)c2n(c1)ccn2.Cl
Isomeric Smiles
n12c(ncc1)c(cc(c2)Cl)Br.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.739934
LogD (pH = 7.4)
2.1231792
Log P
2.1323466
Molar Refractivity
48.364
Polarizability
18.12199
Polar Surface Area
17.3
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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