Molecule

ID:96177

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₇BrF₄O₂
Molecular Mass
481.2774928
Exact Mass
480.03480466
Charge
0
InChI
InChI=1S/C23H17BrF4O2/c24-20(12-15-6-8-17(9-7-15)23(26,27)28)22(29)19-13-18(25)10-11-21(19)30-14-16-4-2-1-3-5-16/h1-11,13,20H,12,14H2
InChIKey
PKSUPQVRZCWNQP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(=O)C(Cc1ccc(cc1)C(F)(F)F)Br)OCc1ccccc1
Isomeric Smiles
O=C(c1cc(ccc1OCc1ccccc1)F)C(Cc1ccc(cc1)C(F)(F)F)Br
Calculated Properties
JChem
Acid pKa
15.2715025
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.0661755
LogD (pH = 7.4)
7.0661755
Log P
7.0661755
Molar Refractivity
110.5763
Polarizability
41.12272
Polar Surface Area
26.3
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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