Molecule

ID:16304

General Information
Structure
MolImage
Molecular Formula
C₄HBrCl₂N₂
Molecular Mass
227.87414
Exact Mass
225.8700154
Charge
0
InChI
InChI=1S/C4HBrCl2N2/c5-2-3(6)8-1-9-4(2)7/h1H
InChIKey
BKLHHTTZTSYHBV-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc(c1Br)Cl
Isomeric Smiles
c1nc(c(c(n1)Cl)Br)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4669318
LogD (pH = 7.4)
2.4669318
Log P
2.4669318
Molar Refractivity
42.0773
Polarizability
15.68017
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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