Molecule

ID:71392

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄BrFO₂
Molecular Mass
277.1300632
Exact Mass
276.01611991
Charge
0
InChI
InChI=1S/C11H14BrFO2/c1-3-14-11(15-4-2)9-6-5-8(13)7-10(9)12/h5-7,11H,3-4H2,1-2H3
InChIKey
DHPSVWWHCBZFLP-UHFFFAOYSA-N
Canonic Smiles
CCOC(c1ccc(cc1Br)F)OCC
Isomeric Smiles
c1(c(cc(cc1)F)Br)C(OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7529955
LogD (pH = 7.4)
3.7529955
Log P
3.7529955
Molar Refractivity
60.7426
Polarizability
23.487246
Polar Surface Area
18.46
Rotatable Bonds
5
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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