Molecule

ID:97977

General Information
Structure
MolImage
Molecular Formula
C₆H₇BrClF₃O₂
Molecular Mass
283.4707896
Exact Mass
281.9270038
Charge
0
InChI
InChI=1S/C6H7BrClF3O2/c1-13-4(12)2-3-5(8,9)6(7,10)11/h2-3H2,1H3
InChIKey
YSFYJBUDNLGNCT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCC(C(Br)(F)F)(Cl)F
Isomeric Smiles
O=C(OC)CCC(C(Br)(F)F)(Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5386004
LogD (pH = 7.4)
2.5386004
Log P
2.5386004
Molar Refractivity
45.0674
Polarizability
17.384378
Polar Surface Area
26.3
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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