Molecule

ID:94779

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇BrF₂O
Molecular Mass
297.0948864
Exact Mass
295.96483328
Charge
0
InChI
InChI=1S/C13H7BrF2O/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(16)7-9/h1-7H
InChIKey
ZBZKMVBOJLOHPU-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)C(=O)c1ccc(c(c1)F)F
Isomeric Smiles
O=C(c1ccc(cc1)Br)c1ccc(c(c1)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4867554
LogD (pH = 7.4)
4.4867554
Log P
4.4867554
Molar Refractivity
64.6891
Polarizability
24.238688
Polar Surface Area
17.07
Rotatable Bonds
2
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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