Molecule

ID:98201

General Information
Structure
MolImage
Molecular Formula
C₇H₇BrFN
Molecular Mass
204.0395832
Exact Mass
202.97458945
Charge
0
InChI
InChI=1S/C7H7BrFN/c8-4-5-3-6(10)1-2-7(5)9/h1-3H,4,10H2
InChIKey
QXHIYBUKUIBLAA-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc(N)ccc1F
Isomeric Smiles
BrCc1c(ccc(c1)N)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0551348
LogD (pH = 7.4)
2.0597007
Log P
2.0597591
Molar Refractivity
43.8252
Polarizability
15.824064
Polar Surface Area
26.02
Rotatable Bonds
1
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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