Molecule

ID:68367

General Information
Structure
Molecular Formula
C₅H₄BrClN₂
Molecular Mass
207.45566
Exact Mass
205.92463782
Charge
0
InChI
InChI=1S/C5H4BrClN2/c1-3-4(6)2-8-5(7)9-3/h2H,1H3
InChIKey
IIALSLVGUGOODS-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(n1)C)Br
Isomeric Smiles
c1(nc(c(cn1)Br)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8584085
LogD (pH = 7.4)
1.8584086
Log P
1.8584086
Molar Refractivity
40.4352
Polarizability
15.346735
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
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References
Bioactivity
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