Molecule

ID:15260

General Information
Structure
MolImage
Molecular Formula
C₉H₅Br₂F₅O
Molecular Mass
383.935416
Exact Mass
381.86272988
Charge
0
InChI
InChI=1S/C9H5Br2F5O/c10-7(12,8(11,13)14)9(15,16)17-6-4-2-1-3-5-6/h1-5H
InChIKey
QYJBNNMFIHYLKB-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(Br)(F)F)(Br)F)(Oc1ccccc1)F
Isomeric Smiles
c1cccc(c1)OC(C(C(Br)(F)F)(F)Br)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.89618
LogD (pH = 7.4)
4.89618
Log P
4.89618
Molar Refractivity
58.5828
Polarizability
22.147295
Polar Surface Area
9.23
Rotatable Bonds
4
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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