Molecule

ID:44498

General Information
Structure
MolImage
Molecular Formula
C₆H₄BrCl₂N
Molecular Mass
240.91266
Exact Mass
238.89041649
Charge
0
InChI
InChI=1S/C6H4BrCl2N/c7-5-1-4(2-8)6(9)10-3-5/h1,3H,2H2
InChIKey
VRZYGANTKSIVBU-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(Br)cnc1Cl
Isomeric Smiles
c1(c(ncc(c1)Br)Cl)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9357898
LogD (pH = 7.4)
2.93579
Log P
2.93579
Molar Refractivity
47.2569
Polarizability
18.077679
Polar Surface Area
12.89
Rotatable Bonds
1
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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