Molecule

ID:95335

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Br₃FN
Molecular Mass
397.8638032
Exact Mass
394.79561339
Charge
0
InChI
InChI=1S/C10H5Br3FN/c11-10(12,13)9-4-1-6-5-7(14)2-3-8(6)15-9/h1-5H
InChIKey
AYMMQFYDUYJYBC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)ccc(n2)C(Br)(Br)Br
Isomeric Smiles
n1c2ccc(cc2ccc1C(Br)(Br)Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.608356
LogD (pH = 7.4)
4.608478
Log P
4.6084795
Molar Refractivity
68.7273
Polarizability
27.10661
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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