Molecule

ID:99618

General Information
Structure
MolImage
Molecular Formula
C₇H₇BrFN
Molecular Mass
204.0395832
Exact Mass
202.97458945
Charge
0
InChI
InChI=1S/C7H7BrFN/c1-4-2-5(8)7(10)3-6(4)9/h2-3H,10H2,1H3
InChIKey
ZHSUEJWJGKIOGI-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(N)c(cc1C)Br
Isomeric Smiles
Nc1c(cc(c(c1)F)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5685916
LogD (pH = 7.4)
2.569188
Log P
2.5691957
Molar Refractivity
43.6388
Polarizability
15.850436
Polar Surface Area
26.02
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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