Molecule

ID:98607

General Information
Structure
MolImage
Molecular Formula
C₈H₇BrF₂O
Molecular Mass
237.0413864
Exact Mass
235.96483328
Charge
0
InChI
InChI=1S/C8H7BrF2O/c1-5-4-6(9)2-3-7(5)12-8(10)11/h2-4,8H,1H3
InChIKey
KOXSTKLIJNSMIO-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1C)Br)F
Isomeric Smiles
O(c1c(cc(cc1)Br)C)C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.024507
LogD (pH = 7.4)
4.024507
Log P
4.024507
Molar Refractivity
45.1941
Polarizability
17.184242
Polar Surface Area
9.23
Rotatable Bonds
2
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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