Molecule

ID:94793

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₃BrF₂O
Molecular Mass
375.2067264
Exact Mass
374.01178348
Charge
0
InChI
InChI=1S/C19H13BrF2O/c20-16-3-1-2-15(12-16)19(23,13-4-8-17(21)9-5-13)14-6-10-18(22)11-7-14/h1-12,23H
InChIKey
VEWHXJNJQZOMGZ-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)C(c1ccc(cc1)F)(c1ccc(cc1)F)O
Isomeric Smiles
OC(c1ccc(cc1)F)(c1cc(ccc1)Br)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
12.630815
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.6925344
LogD (pH = 7.4)
5.692532
Log P
5.6925344
Molar Refractivity
91.3671
Polarizability
34.05666
Polar Surface Area
20.23
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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