Molecule

ID:100031

General Information
Structure
MolImage
Molecular Formula
C₇H₅Br₂FO
Molecular Mass
283.9204032
Exact Mass
281.869117
Charge
0
InChI
InChI=1S/C7H5Br2FO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,1H3
InChIKey
VFAXMVDRHMXZSH-UHFFFAOYSA-N
Canonic Smiles
COc1c(Br)cc(cc1Br)F
Isomeric Smiles
O(c1c(cc(cc1Br)F)Br)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4957817
LogD (pH = 7.4)
3.4957817
Log P
3.4957817
Molar Refractivity
47.9832
Polarizability
18.682564
Polar Surface Area
9.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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