Molecule

ID:70332

General Information
Structure
MolImage
Molecular Formula
C₅H₄BrClFN
Molecular Mass
212.4473632
Exact Mass
210.91996703
Charge
0
InChI
InChI=1S/C5H3BrFN.ClH/c6-4-1-2-8-3-5(4)7;/h1-3H;1H
InChIKey
NNSNDHTUFCXSAS-UHFFFAOYSA-N
Canonic Smiles
Fc1cnccc1Br.Cl
Isomeric Smiles
c1c(c(ccn1)Br)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.666977
LogD (pH = 7.4)
1.6670274
Log P
1.667028
Molar Refractivity
31.7403
Polarizability
12.186243
Polar Surface Area
12.89
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
No Data Available
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Molecule Details
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References
Bioactivity
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