Molecule

ID:84698

General Information
Structure
Molecular Formula
C₆H₃Br₂Cl₂N
Molecular Mass
319.80872
Exact Mass
316.80092846
Charge
0
InChI
InChI=1S/C6H3Br2Cl2N/c7-2-1-3(9)6(11)4(8)5(2)10/h1H,11H2
InChIKey
YFDOOBMHAJTEEL-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Br)c(c(c1N)Br)Cl
Isomeric Smiles
Brc1c(c(cc(c1Cl)Br)Cl)N
Calculated Properties
JChem
Acid pKa
17.545174
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.889907
LogD (pH = 7.4)
3.8899143
Log P
3.8899145
Molar Refractivity
55.6136
Polarizability
21.4127
Polar Surface Area
26.02
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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