Molecule
ID:95181
General Information
Molecular Formula
C₉H₇BrF₂O₂
Molecular Mass
265.0514864
Exact Mass
263.9597479
Charge
0
InChI
InChI=1S/C9H7BrF2O2/c10-5-8(13)6-2-1-3-7(4-6)14-9(11)12/h1-4,9H,5H2
InChIKey
WPBYWRSJRLRFJH-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)c1cccc(c1)OC(F)F
Isomeric Smiles
O=C(c1cc(ccc1)OC(F)F)CBr
Calculated Properties
JChem
Acid pKa
15.329658
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0228193
LogD (pH = 7.4)
3.0228193
Log P
3.0228193
Molar Refractivity
50.6696
Polarizability
19.145586
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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