Molecule

ID:100374

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrFI
Molecular Mass
314.9214732
Exact Mass
313.86033838
Charge
0
InChI
InChI=1S/C7H5BrFI/c1-4-2-6(9)5(8)3-7(4)10/h2-3H,1H3
InChIKey
ACDTXEFSNCPJED-UHFFFAOYSA-N
Canonic Smiles
Ic1cc(Br)c(cc1C)F
Isomeric Smiles
Brc1c(cc(c(c1)I)C)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3270664
LogD (pH = 7.4)
4.3270664
Log P
4.3270664
Molar Refractivity
52.3009
Polarizability
20.206907
Polar Surface Area
0.0
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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