Molecule

ID:71307

General Information
Structure
Molecular Formula
C₅H₂Br₂FN
Molecular Mass
254.8824832
Exact Mass
252.85380129
Charge
0
InChI
InChI=1S/C5H2Br2FN/c6-3-1-2-9-5(8)4(3)7/h1-2H
InChIKey
RALUGCFMNLTFAK-UHFFFAOYSA-N
Canonic Smiles
Brc1c(Br)ccnc1F
Isomeric Smiles
c1(c(nccc1Br)F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8297112
LogD (pH = 7.4)
2.8297112
Log P
2.8297112
Molar Refractivity
40.3778
Polarizability
15.411598
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
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Molecule Details
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References
Bioactivity
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