Molecule

ID:67627

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrClN₃
Molecular Mass
232.46512
Exact Mass
230.91988679
Charge
0
InChI
InChI=1S/C6H3BrClN3/c7-4-3-11-2-1-9-6(11)5(8)10-4/h1-3H
InChIKey
QIRIACFCTBDGFD-UHFFFAOYSA-N
Canonic Smiles
Brc1cn2ccnc2c(n1)Cl
Isomeric Smiles
c12c(nc(cn1ccn2)Br)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3396623
LogD (pH = 7.4)
1.3403646
Log P
1.3403735
Molar Refractivity
48.1106
Polarizability
17.46784
Polar Surface Area
30.19
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
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Molecule Details
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References
Bioactivity
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