Molecule

ID:54850

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrFN₂
Molecular Mass
200.9958832
Exact Mass
199.93853829
Charge
0
InChI
InChI=1S/C6H2BrFN2/c7-5-1-4(8)3-10-6(5)2-9/h1,3H
InChIKey
OLOSREGULYFXDD-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ncc(cc1Br)F
Isomeric Smiles
c1(c(cc(cn1)F)Br)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9089744
LogD (pH = 7.4)
1.9089744
Log P
1.9089744
Molar Refractivity
37.0899
Polarizability
14.064764
Polar Surface Area
36.68
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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