Molecule
ID:99318
General Information
Molecular Formula
C₇H₂Br₂F₂O
Molecular Mass
299.8949864
Exact Mass
297.84404512
Charge
0
InChI
InChI=1S/C7H2Br2F2O/c8-4-1-5(10)6(9)7(11)3(4)2-12/h1-2H
InChIKey
INWNDQDVNWEPAA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Br)cc(c(c1F)Br)F
Isomeric Smiles
O=Cc1c(cc(c(c1F)Br)F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5086572
LogD (pH = 7.4)
3.5086572
Log P
3.5086572
Molar Refractivity
48.3204
Polarizability
18.093569
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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