Molecule

ID:53422

General Information
Structure
MolImage
Molecular Formula
C₇H₃Br₂ClN₂
Molecular Mass
310.37312
Exact Mass
307.83514979
Charge
0
InChI
InChI=1S/C7H3Br2ClN2/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H,(H,11,12)
InChIKey
ZKYRZYZWRSJKNP-UHFFFAOYSA-N
Canonic Smiles
Clc1[nH]c2c(n1)cc(c(c2)Br)Br
Isomeric Smiles
n1c([nH]c2c1cc(c(c2)Br)Br)Cl
Calculated Properties
JChem
Acid pKa
9.062684
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7094722
LogD (pH = 7.4)
3.7028193
Log P
3.7110236
Molar Refractivity
55.24
Polarizability
22.459105
Polar Surface Area
28.68
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
No Data Available
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Molecule Details
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References
Bioactivity
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