Molecule

ID:92889

General Information
Structure
MolImage
Molecular Formula
C₆H₇Br₂ClN₂
Molecular Mass
302.39418
Exact Mass
299.86644991
Charge
0
InChI
InChI=1S/C6H6Br2N2.ClH/c7-4-1-2-6(10-9)5(8)3-4;/h1-3,10H,9H2;1H
InChIKey
FGOIJIDSPMZMCH-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1Br)Br.Cl
Isomeric Smiles
Brc1c(ccc(c1)Br)NN.Cl
Calculated Properties
JChem
Acid pKa
18.752209
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.7623794
LogD (pH = 7.4)
2.9003181
Log P
2.9023936
Molar Refractivity
51.0103
Polarizability
18.77706
Polar Surface Area
38.05
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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