Molecule

ID:68283

General Information
Structure
MolImage
Molecular Formula
C₄HBr₂ClN₂
Molecular Mass
272.32514
Exact Mass
269.81949972
Charge
0
InChI
InChI=1S/C4HBr2ClN2/c5-2-1-8-4(7)3(6)9-2/h1H
InChIKey
WNZURIDUDWMEKQ-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(n1)Br)Cl
Isomeric Smiles
c1(c(nc(cn1)Br)Br)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.310672
LogD (pH = 7.4)
2.310672
Log P
2.310672
Molar Refractivity
44.5403
Polarizability
16.899107
Polar Surface Area
25.78
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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